N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N'-(4-methylphenyl)propanediamide

• ChemBase ID: 343045
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n12c(nc(c1)CCNC(=O)CC(=O)Nc1ccc(cc1)C)cccc2
• Canonical SMILES: O=C(CC(=O)Nc1ccc(cc1)C)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H20N4O2/c1-14-5-7-15(8-6-14)22-19(25)12-18(24)20-10-9-16-13-23-11-3-2-4-17(23)21-16/h2-8,11,13H,9-10,12H2,1H3,(H,20,24)(H,22,25)
• InChIKey: JWYXPRZWDORANA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N'-(4-methylphenyl)propanediamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N'-(4-methylphenyl)propanediamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-(4-methylphenyl)malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.21639
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1341819
• LogD (pH = 7.4): 1.8361557
• Log P: 1.8626008
• Molar Refractivity: 97.6934 cm^3
• Polarizability: 36.25648 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.64
• LOG S: -3.05
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 6