Molecule ID: 25209073

IUPAC Name: 6-benzyl-4-oxo-1-phenylpyridine-3-carboxamide

Description: The molecule is a member of the class of 4-pyridones that is N-phenylpyridin-4-one which is substituted by a benzyl group at position 2 and an aminocarbonyl group at position 5. It has been isolated from Aspergillus niger ATCC 1015. It has a role as an Aspergillus metabolite. It is a monocarboxylic acid amide, a member of 4-pyridones and a biaryl.

SMILES: N=C(O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O

SELFIES: [N][=C][Branch1][C][O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring1][=O]

InChI: InChI=1S/C19H16N2O2/c20-19(23)17-13-21(15-9-5-2-6-10-15)16(12-18(17)22)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H2,20,23)

Molecular Properties:
- Polar Surface Area: 63.4 Ų
- LogP: 3.4