N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 609263
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCc1c(nc(cc1C)C)OC
• Canonical SMILES: COc1nc(C)cc(c1CNC(=O)c1ccc2n(c1)cc(n2)C)C
• InChI: InChI=1S/C18H20N4O2/c1-11-7-12(2)21-18(24-4)15(11)8-19-17(23)14-5-6-16-20-13(3)9-22(16)10-14/h5-7,9-10H,8H2,1-4H3,(H,19,23)
• InChIKey: RLLWRYLENRASTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.866835
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8712727
• LogD (pH = 7.4): 1.5322772
• Log P: 1.5536145
• Molar Refractivity: 93.3681 cm^3
• Polarizability: 34.47687 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.61
• LOG S: -3.79
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4