N-{3-[methyl(phenyl)amino]propyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 320005
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c12n(c(cn1)CC(=O)NCCCN(c1ccccc1)C)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCCN(c1ccccc1)C
• InChI: InChI=1S/C20H24N4O/c1-16-8-6-13-24-18(15-22-20(16)24)14-19(25)21-11-7-12-23(2)17-9-4-3-5-10-17/h3-6,8-10,13,15H,7,11-12,14H2,1-2H3,(H,21,25)
• InChIKey: KXNISILUHSNWFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[methyl(phenyl)amino]propyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{3-[methyl(phenyl)amino]propyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-{3-[methyl(phenyl)amino]propyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.832056
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1547114
• LogD (pH = 7.4): 2.1612241
• Log P: 2.217178
• Molar Refractivity: 102.2646 cm^3
• Polarizability: 38.043682 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.57
• LOG S: -3.85
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7