N-methyl-N-[(3-methylpyridin-2-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 569132
• Molecular Formular: C22H20N4O
• Molecular Mass: 356.4204
• Monoisotopic Mass: 356.16371128
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(Cc1ncccc1C)C
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)N(Cc1ncccc1C)C
• InChI: InChI=1S/C22H20N4O/c1-16-7-6-12-23-19(16)14-25(2)22(27)18-10-11-21-24-20(15-26(21)13-18)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3
• InChIKey: TWXUHARJOXWUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.947575
• LogD (pH = 7.4): 3.1885478
• Log P: 3.1923115
• Molar Refractivity: 106.5471 cm^3
• Polarizability: 41.243183 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.18
• LOG S: -2.36
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 4