NP-MRD: Showing NP-Card for n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide (NP0250029)

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Record Information

Version

2.0

Created at

2022-09-07 12:45:23 UTC

Updated at

2022-09-07 12:45:23 UTC

NP-MRD ID

NP0250029

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide

Description

N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated. n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide is found in Bufo bufo. N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 45  0  0  0  0  0  0  0  0999 V2000
   -1.8437   -2.4402    1.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2904   -1.2201    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5091   -1.0548    0.9668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3752   -0.2267    0.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0648   -0.3825    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804   -1.1060   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1504   -1.2431    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544   -2.3536    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -2.0356    0.6033 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -0.7362    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846    0.0583    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3475    1.3716   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    1.8931   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    3.2076   -0.9071 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089    1.0600   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1017   -0.2526   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195    0.9469    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    1.7910   -0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2163    1.2102   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1176    1.8634    0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3597    1.9058   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1754    1.2815   -1.2199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8991    0.8522   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863    0.1168   -2.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413   -2.2698    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109   -2.7557    1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4876   -3.3086    1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838   -0.9987    1.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    0.6101    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123   -2.0722   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5181   -0.4719   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -3.3265    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547   -2.6522    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620   -0.3056    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1889    2.0408   -0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    3.8693   -0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    1.4405   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9843    2.2996    1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2697    2.3652    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9064    1.1408   -1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    0.5757   -3.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5306   -0.9525   -2.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842    0.2645   -2.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 19 23  2  0
 23 24  1  0
 23 22  1  0
 22 21  1  0
 21 20  2  0
 16  7  1  0
 20 19  1  0
 16 10  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  8 32  1  0
  9 33  1  0
 11 34  1  0
 12 35  1  0
 14 36  1  0
 15 37  1  0
 24 41  1  0
 24 42  1  0
 24 43  1  0
 22 40  1  0
 21 39  1  0
 20 38  1  0
M  END


  Mrv1533004201503122D          

 24 26  0  0  0  0            999 V2000
    3.1039   -1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8184   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -1.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8184   -0.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3895   -0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9213    0.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693    0.6817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818    1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    2.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    3.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888    1.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    1.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2474   -0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336   -0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1406   -1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -0.2859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1726    1.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 16  1  0  0  0  0
 10 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0250029

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)N(CCC1=CNC2=CC=C(O)C=C12)C(=O)C1=C(C)NC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H19N3O3/c1-11-15(5-7-19-11)18(24)21(12(2)22)8-6-13-10-20-17-4-3-14(23)9-16(13)17/h3-5,7,9-10,19-20,23H,6,8H2,1-2H3

> <INCHI_KEY>
YWVMXSCHEOVSPQ-UHFFFAOYSA-N

> <FORMULA>
C18H19N3O3

> <MOLECULAR_WEIGHT>
325.368

> <EXACT_MASS>
325.142641484

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.15074878655095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

> <ALOGPS_LOGP>
2.65

> <JCHEM_LOGP>
2.1239469110000004

> <ALOGPS_LOGS>
-3.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.536391322709626

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.556508942852714

> <JCHEM_PKA_STRONGEST_BASIC>
-5.507892376367452

> <JCHEM_POLAR_SURFACE_AREA>
89.19

> <JCHEM_REFRACTIVITY>
91.9425

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0       5.794  -2.326   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.128  -1.556   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.461  -2.326   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       7.128  -0.016   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.794   0.754   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.460  -0.016   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.127   0.754   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.720   0.128   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.689   1.272   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.459   2.606   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.983   4.071   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.014   5.215   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.520   4.895   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.551   6.039   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.996   3.430   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.966   2.286   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.461   0.754   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.461   2.294   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.795  -0.016   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.956  -1.547   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.462  -1.867   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      12.232  -0.534   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      11.202   0.611   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.522   2.117   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15    7   10                                                  
CONECT   17    4   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₉N₃O₃

Average Mass

325.3680 Da

Monoisotopic Mass

325.14264 Da

IUPAC Name

N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

Traditional Name

N-acetyl-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

CAS Registry Number

Not Available

SMILES

CC(=O)N(CCC1=CNC2=CC=C(O)C=C12)C(=O)C1=C(C)NC=C1

InChI Identifier

InChI=1S/C18H19N3O3/c1-11-15(5-7-19-11)18(24)21(12(2)22)8-6-13-10-20-17-4-3-14(23)9-16(13)17/h3-5,7,9-10,19-20,23H,6,8H2,1-2H3

InChI Key

YWVMXSCHEOVSPQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Bufo bufo	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Tryptamines and derivatives

Direct Parent

N-acylserotonins

Alternative Parents

Substituents

N-acylserotonin
3-alkylindole
Hydroxyindole
Alkaloid or derivatives
Indole
Pyrrole-3-carboxylic acid or derivatives
Pyrrole-3-carboxamide
1-hydroxy-2-unsubstituted benzenoid
Phenol
Carboxylic acid imide, n-substituted
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Acetamide
Vinylogous amide
Pyrrole
Carboxylic acid imide
Dicarboximide
Azacycle
Carboxylic acid derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.65	ALOGPS
logP	2.12	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	9.56	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	89.19 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	91.94 m³·mol⁻¹	ChemAxon
Polarizability	34.15 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10592135

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide (NP0250029)

MOL for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

3D MOL for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

3D SDF for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

3D-SDF for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

PDB for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

3D PDB for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

SMILES for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

INCHI for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

Structure for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)

3D Structure for NP0250029 (n-acetyl-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-2-methyl-1h-pyrrole-3-carboxamide)