2-[2-oxo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-3-yl]benzonitrile

• ChemBase ID: 128869
• Molecular Formular: C23H15N3O
• Molecular Mass: 349.3847
• Monoisotopic Mass: 349.12151212
• SMILES: N#Cc1ccccc1c1cc(c2ncccc2)cn(c1=O)c1ccccc1
• Canonical SMILES: N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1
• InChI: InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
• InChIKey: PRMWGUBFXWROHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-oxo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-3-yl]benzonitrile
• IUPAC Traditional name: perampanel
• Brand Name: Fycompa
• Synonyms: E2007; Perampanel

Database IDs

• CAS Number: 380917-97-5
• PubChem SID: 162223172
• PubChem CID: 9924495
• CHEBI ID: 71013
• ATC CODE: N03AX22
• CHEMBL: 1214124
• Chemspider ID: 8100130
• KEGG ID: D08964
• Unique Ingredient Identifier: H821664NPK
• Wikipedia Title: Perampanel

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.093445
• LogD (pH = 7.4): 4.1065865
• Log P: 4.1067567
• Molar Refractivity: 104.7414 cm^3
• Polarizability: 39.808716 Å^3
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Excretion: 70% faeces, 30% urine
• Metabolism: CYP3A4
• Protein Bound: 95%
• Legal Status: Rx-only