N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 749898
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: c12n(c(cc(c2)C)C)cc(n1)CNC(=O)CCC1N(C)CCCC1
• Canonical SMILES: O=C(NCc1cn2c(n1)cc(cc2C)C)CCC1CCCCN1C
• InChI: InChI=1S/C19H28N4O/c1-14-10-15(2)23-13-16(21-18(23)11-14)12-20-19(24)8-7-17-6-4-5-9-22(17)3/h10-11,13,17H,4-9,12H2,1-3H3,(H,20,24)
• InChIKey: AYAKHUGHLJULLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.751187
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1486049
• LogD (pH = 7.4): -0.30137092
• Log P: 1.8259248
• Molar Refractivity: 98.2179 cm^3
• Polarizability: 37.233273 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -3.43
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5