N-(furan-3-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 508781
• 分子式: C15H15N3O2
• 平均质量: 269.2985
• 单一同位素质量: 269.11642674
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1cocc1)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(Cc1cocc1)C
• InChI: InChI=1S/C15H15N3O2/c1-11-3-4-14-16-13(9-18(14)7-11)15(19)17(2)8-12-5-6-20-10-12/h3-7,9-10H,8H2,1-2H3
• InChIKey: LEZWVBGWOXDUSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-3-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-(furan-3-ylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(3-furylmethyl)-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8126243
• LogD (pH = 7.4): 1.8214189
• Log P: 1.8215322
• 摩尔折射率: 76.6034 cm^3
• 极化性: 28.040285 Å^3
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.38
• LOG S: -2.34
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 3