N,2-dimethyl-4-phenyl-N-(quinolin-5-ylmethyl)pyridine-3-carboxamide

• ChemBase ID: 399594
• Molecular Formular: C24H21N3O
• Molecular Mass: 367.44304
• Monoisotopic Mass: 367.16846231
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)ccc2)C)c(c2ccccc2)ccnc1C
• Canonical SMILES: CN(C(=O)c1c(C)nccc1c1ccccc1)Cc1cccc2c1cccn2
• InChI: InChI=1S/C24H21N3O/c1-17-23(21(13-15-25-17)18-8-4-3-5-9-18)24(28)27(2)16-19-10-6-12-22-20(19)11-7-14-26-22/h3-15H,16H2,1-2H3
• InChIKey: OHJIRSHHGKLSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-4-phenyl-N-(quinolin-5-ylmethyl)pyridine-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-4-phenyl-N-(quinolin-5-ylmethyl)pyridine-3-carboxamide
• Synonyms: N,2-dimethyl-4-phenyl-N-(5-quinolinylmethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5904562
• LogD (pH = 7.4): 3.7125363
• Log P: 3.7142892
• Molar Refractivity: 111.0345 cm^3
• Polarizability: 45.00234 Å^3
• Polar Surface Area: 46.09 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: 2.93
• LOG S: -4.38
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4