Molecule ID: 54671478

IUPAC Name: 6-benzyl-1-(4-fluorophenyl)-4-oxopyridine-3-carboxamide

Description: The molecule is a member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. 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, a member of monofluorobenzenes and a biaryl. It derives from a nygerone B.

SMILES: N=C(O)c1cn(-c2ccc(F)cc2)c(Cc2ccccc2)cc1=O

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

InChI: InChI=1S/C19H15FN2O2/c20-14-6-8-15(9-7-14)22-12-17(19(21)24)18(23)11-16(22)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,21,24)

Molecular Properties:
- Polar Surface Area: 63.4 Ų
- LogP: 3.5