N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-N'-(4-methylphenyl)propanediamide

• ChemBase ID: 313599
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c12n(c(cn1)CNC(=O)CC(=O)Nc1ccc(cc1)C)cccc2C
• Canonical SMILES: O=C(CC(=O)Nc1ccc(cc1)C)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C19H20N4O2/c1-13-5-7-15(8-6-13)22-18(25)10-17(24)20-11-16-12-21-19-14(2)4-3-9-23(16)19/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,22,25)
• InChIKey: QGRMPMFCJBJAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-N'-(4-methylphenyl)propanediamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-N'-(4-methylphenyl)propanediamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(4-methylphenyl)malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.155631
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2148123
• LogD (pH = 7.4): 1.9334549
• Log P: 1.9775387
• Molar Refractivity: 98.4349 cm^3
• Polarizability: 36.177742 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.9
• LOG S: -3.28
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5