N-(2-methoxyethyl)-2-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 326728
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(CCOC)CCC
• Canonical SMILES: COCCN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)CCC
• InChI: InChI=1S/C20H23N3O2/c1-3-11-22(12-13-25-2)20(24)17-9-10-19-21-18(15-23(19)14-17)16-7-5-4-6-8-16/h4-10,14-15H,3,11-13H2,1-2H3
• InChIKey: LZUOVSPHFKJZKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(2-methoxyethyl)-2-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 2.5
• LOG S: -3.79

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7351997
• LogD (pH = 7.4): 2.9199777
• Log P: 2.9229724
• Molar Refractivity: 99.8885 cm^3
• Polarizability: 38.82501 Å^3
• Polar Surface Area: 46.84 Å^2