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Showing NP-Card for 7-hydroxy-N-methyl-1H-indole-2-carboxamide (NP0351972)

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Record Information
Version2.0
Created at2025-12-05 13:40:30 UTC
Updated at2025-12-06 01:00:35 UTC
NP-MRD IDNP0351972
Natural Product DOIhttps://doi.org/10.57994/5045
Secondary Accession NumbersNone
Natural Product Identification
Common Name7-hydroxy-N-methyl-1H-indole-2-carboxamide
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)


  Mrv2104 01032310592D          

 14 15  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
  3  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  1  0  0  0  0
  6  9  2  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
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3D MOL for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)

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3D SDF for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)

  Mrv2104 01032310592D          

 14 15  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
  3  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  1  0  0  0  0
  6  9  2  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351972

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CNC(=O)C1=CC2=CC=CC(O)=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H10N2O2/c1-11-10(14)7-5-6-3-2-4-8(13)9(6)12-7/h2-5,12-13H,1H3,(H,11,14)

> <INCHI_KEY>
SANZHLOIUPWYRM-UHFFFAOYSA-N

> <FORMULA>
C10H10N2O2

> <MOLECULAR_WEIGHT>
190.202

> <EXACT_MASS>
190.07422757

$$$$

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3D-SDF for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)
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PDB for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)
HEADER    PROTEIN                                 03-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-JAN-23         0                                  
HETATM    1  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -1.465  -0.476   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -2.370   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.910   0.770   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -4.680   2.104   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -6.220   2.104   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.680  -0.564   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.465   2.016   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6                                                            
CONECT   10    5   11                                                       
CONECT   11    3   10   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    2                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

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3D PDB for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)
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SMILES for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)
CNC(=O)C1=CC2=CC=CC(O)=C2N1
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INCHI for NP0351972 (7-hydroxy-N-methyl-1H-indole-2-carboxamide)
InChI=1S/C10H10N2O2/c1-11-10(14)7-5-6-3-2-4-8(13)9(6)12-7/h2-5,12-13H,1H3,(H,11,14)
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View in JSmol
SynonymsNot Available
Chemical FormulaC10H10N2O2
Average Mass190.2020 Da
Monoisotopic Mass190.07423 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CNC(=O)C1=CC2=CC=CC(O)=C2N1
InChI Identifier
InChI=1S/C10H10N2O2/c1-11-10(14)7-5-6-3-2-4-8(13)9(6)12-7/h2-5,12-13H,1H3,(H,11,14)
InChI KeySANZHLOIUPWYRM-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Trichoderma
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References