N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 859753
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCC1CN(Cc2occc2)CCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCC1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C20H24N4O2/c1-15-6-7-19-22-18(14-24(19)11-15)20(25)21-10-16-4-2-8-23(12-16)13-17-5-3-9-26-17/h3,5-7,9,11,14,16H,2,4,8,10,12-13H2,1H3,(H,21,25)
• InChIKey: OKMUJKDFFOGVHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[1-(2-furylmethyl)-3-piperidinyl]methyl}-6-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.673332
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6608786
• LogD (pH = 7.4): 1.1183243
• Log P: 2.0468209
• Molar Refractivity: 101.7545 cm^3
• Polarizability: 38.037556 Å^3
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.28
• LOG S: -3.72
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 5