N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 677541
• 分子式: C20H24N4O
• 平均质量: 336.43076
• 单一同位素质量: 336.19501141
• SMILES: c1(C(=O)N(Cc2c(C)cccc2)CCN(C)C)cn2c(ncc2)cc1
• Canonical SMILES: CN(CCN(C(=O)c1ccc2n(c1)ccn2)Cc1ccccc1C)C
• InChI: InChI=1S/C20H24N4O/c1-16-6-4-5-7-17(16)14-24(13-12-22(2)3)20(25)18-8-9-19-21-10-11-23(19)15-18/h4-11,15H,12-14H2,1-3H3
• InChIKey: VLJBUMZAYUBLKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-[2-(dimethylamino)ethyl]-N-(2-methylbenzyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.166346
• LogD (pH = 7.4): 1.1913375
• Log P: 2.314081
• 摩尔折射率: 102.4811 cm^3
• 极化性: 38.216415 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.06
• LOG S: -4.27
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 6