2-[(3-methoxyphenyl)amino]-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)butanamide

• ChemBase ID: 410041
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: n12c(nc(c1)CNC(=O)C(Nc1cc(OC)ccc1)CC)ccc(c2)C
• Canonical SMILES: CCC(C(=O)NCc1cn2c(n1)ccc(c2)C)Nc1cccc(c1)OC
• InChI: InChI=1S/C20H24N4O2/c1-4-18(22-15-6-5-7-17(10-15)26-3)20(25)21-11-16-13-24-12-14(2)8-9-19(24)23-16/h5-10,12-13,18,22H,4,11H2,1-3H3,(H,21,25)
• InChIKey: MMYWTGLPASDITL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)amino]-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)butanamide
• IUPAC Traditional name: 2-[(3-methoxyphenyl)amino]-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)butanamide
• Synonyms: 2-[(3-methoxyphenyl)amino]-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.669502
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6417295
• LogD (pH = 7.4): 2.3527577
• Log P: 2.380026
• Molar Refractivity: 103.5464 cm^3
• Polarizability: 38.713318 Å^3
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.92
• LOG S: -4.26
• Polar Surface Area: 67.66 Å^2
• Rotatable Bonds: 7