1-amino-4,6-diphenyl-1,2-dihydropyridin-2-one

• ChemBase ID: 81058
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: n1(c(cc(cc1=O)c1ccccc1)c1ccccc1)N
• Canonical SMILES: Nn1c(=O)cc(cc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H14N2O/c18-19-16(14-9-5-2-6-10-14)11-15(12-17(19)20)13-7-3-1-4-8-13/h1-12H,18H2
• InChIKey: KSPKRQXZWKVDKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-4,6-diphenyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-amino-4,6-diphenylpyridin-2-one
• Synonyms: 1-Amino-4,6-diphenyl-1,2-dihydropyridin-2-one

Database IDs

• CAS Number: 26478-97-7
• MDL Number: MFCD00052230
• PubChem SID: 162068177
• PubChem CID: 2776897

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5316355
• LogD (pH = 7.4): 2.534157
• Log P: 2.5341892
• Molar Refractivity: 82.5895 cm^3
• Polarizability: 30.730902 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true