N-[2-(2-ethylphenoxy)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 580225
• 分子式: C19H21N3O2
• 平均质量: 323.38894
• 单一同位素质量: 323.16337693
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N(CCOc1c(CC)cccc1)C
• Canonical SMILES: CCc1ccccc1OCCN(C(=O)c1ccc2n(c1)ccn2)C
• InChI: InChI=1S/C19H21N3O2/c1-3-15-6-4-5-7-17(15)24-13-12-21(2)19(23)16-8-9-18-20-10-11-22(18)14-16/h4-11,14H,3,12-13H2,1-2H3
• InChIKey: LNCSDGCBGYGXGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethylphenoxy)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[2-(2-ethylphenoxy)ethyl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-[2-(2-ethylphenoxy)ethyl]-N-methylimidazo[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): 2.0314586
• LogD (pH = 7.4): 2.6350937
• Log P: 2.6595814
• 摩尔折射率: 95.0026 cm^3
• 极化性: 35.521008 Å^3
• 极化表面积: 46.84 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: 3.2
• LOG S: -4.29
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6