N-benzyl-N-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 765607
• 分子式: C21H24N4O2
• 平均质量: 364.44086
• 单一同位素质量: 364.18992603
• SMILES: c1(c(n2c(n1)cccc2)CN1CCOCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCOCC1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-23(15-17-7-3-2-4-8-17)21(26)20-18(16-24-11-13-27-14-12-24)25-10-6-5-9-19(25)22-20/h2-10H,11-16H2,1H3
• InChIKey: ZPKZMVAJGLVTNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-benzyl-N-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-benzyl-N-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4060808
• LogD (pH = 7.4): 1.8024292
• Log P: 1.8107628
• 摩尔折射率: 106.5435 cm^3
• 极化性: 40.09544 Å^3
• 极化表面积: 50.08 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: 4
• 质子供体: 0
• Log P: 0.71
• LOG S: -2.46
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 5