Molecule ID: 126456438

IUPAC Name: 6-benzyl-1-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carboxamide

Description: The molecule is a pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties. It has a role as an Aspergillus metabolite and a neuroprotective agent. It is a member of 4-pyridones, a monocarboxylic acid amide, a pyridine alkaloid, a member of 2-pyranones and an aromatic ether.

SMILES: COc1cc([C@H](Cc2ccccc2)n2cc(C(=N)O)c(=O)cc2Cc2ccccc2)oc(=O)c1

SELFIES: [C][O][C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Ring2][Ring1][S]

InChI: InChI=1S/C27H24N2O5/c1-33-21-15-25(34-26(31)16-21)23(13-19-10-6-3-7-11-19)29-17-22(27(28)32)24(30)14-20(29)12-18-8-4-2-5-9-18/h2-11,14-17,23H,12-13H2,1H3,(H2,28,32)/t23-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.9 Ų
- LogP: 3.9