Molecule ID: 11736320

IUPAC Name: 6-benzyl-4-oxo-1H-pyridine-3-carboxamide

Description: The molecule is a member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively. It has been isolated from the Cynodon dactylon-associated endophytic fungus Cladosporium herbarum IFB-E002 and from a sponge-derived Aspergillus niger. It has a role as an Aspergillus metabolite. It is a member of 4-pyridones, a monocarboxylic acid amide and an alkaloid.

SMILES: N=C(O)c1c[nH]c(Cc2ccccc2)cc1=O

SELFIES: [N][=C][Branch1][C][O][C][=C][NH1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=O]

InChI: InChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)

Molecular Properties:
- Polar Surface Area: 72.2 Ų
- LogP: 1.7