N-benzyl-N-methyl-3-({[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 549613
• 分子式: C24H31N5O2
• 平均质量: 421.53524
• 单一同位素质量: 421.24777526
• SMILES: c1(nc2n(c1CNCCCN1CCOCC1)cccc2)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CNCCCN1CCOCC1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C24H31N5O2/c1-27(19-20-8-3-2-4-9-20)24(30)23-21(29-13-6-5-10-22(29)26-23)18-25-11-7-12-28-14-16-31-17-15-28/h2-6,8-10,13,25H,7,11-12,14-19H2,1H3
• InChIKey: JIGJOOHMACDPPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-methyl-3-({[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-benzyl-N-methyl-3-({[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-benzyl-N-methyl-3-({[3-(4-morpholinyl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -2.1822429
• LogD (pH = 7.4): 0.025260162
• Log P: 1.506319
• 摩尔折射率: 124.1333 cm^3
• 极化性: 47.148632 Å^3
• 极化表面积: 62.11 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 1
• Log P: 2.16
• LOG S: -2.4
• 极化表面积: 62.11 Å^2
• 可自由旋转的化学键: 9