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

• ChemBase编号: 476661
• 分子式: C14H17N5O2
• 平均质量: 287.31708
• 单一同位素质量: 287.13822481
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCN1C(=O)NCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C14H17N5O2/c1-10-2-3-12-17-11(9-19(12)8-10)13(20)15-4-6-18-7-5-16-14(18)21/h2-3,8-9H,4-7H2,1H3,(H,15,20)(H,16,21)
• InChIKey: JTAAPQBPHALELM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 13.4530735
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.31179333
• LogD (pH = 7.4): -0.30283397
• Log P: -0.30271804
• 摩尔折射率: 78.4754 cm^3
• 极化性: 28.769789 Å^3
• 极化表面积: 78.74 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 0.54
• LOG S: -1.76
• 极化表面积: 78.74 Å^2
• 可自由旋转的化学键: 4