N-[1-(4-methoxyphenyl)propyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 364347
• 分子式: C19H21N3O2
• 平均质量: 323.38894
• 单一同位素质量: 323.16337693
• SMILES: c1(n2c(nc1)cccc2)C(=O)N(C(c1ccc(cc1)OC)CC)C
• Canonical SMILES: CCC(N(C(=O)c1cnc2n1cccc2)C)c1ccc(cc1)OC
• InChI: InChI=1S/C19H21N3O2/c1-4-16(14-8-10-15(24-3)11-9-14)21(2)19(23)17-13-20-18-7-5-6-12-22(17)18/h5-13,16H,4H2,1-3H3
• InChIKey: XABSMWVBWACJPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(4-methoxyphenyl)propyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-[1-(4-methoxyphenyl)propyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-[1-(4-methoxyphenyl)propyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4021292
• LogD (pH = 7.4): 2.4822965
• Log P: 2.4834423
• 摩尔折射率: 94.7043 cm^3
• 极化性: 35.597763 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.83
• LOG S: -3.98
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5