N-butyl-3-{[ethyl(2-methylprop-2-en-1-yl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 760169
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: c1(c(n2c(n1)cccc2)CN(CC(=C)C)CC)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN(CC(=C)C)CC)cccc2)C
• InChI: InChI=1S/C20H30N4O/c1-6-8-12-22(5)20(25)19-17(15-23(7-2)14-16(3)4)24-13-10-9-11-18(24)21-19/h9-11,13H,3,6-8,12,14-15H2,1-2,4-5H3
• InChIKey: QJGMTSPRUUXMOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-3-{[ethyl(2-methylprop-2-en-1-yl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-3-{[ethyl(2-methylprop-2-en-1-yl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-3-{[ethyl(2-methyl-2-propen-1-yl)amino]methyl}-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.554229
• LogD (pH = 7.4): 2.310333
• Log P: 2.960108
• Molar Refractivity: 104.9233 cm^3
• Polarizability: 39.51362 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.14
• LOG S: -2.24
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6