N-(cyclopropylmethyl)-N-(2-methoxyethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 467816
• 分子式: C16H21N3O2
• 平均质量: 287.35684
• 单一同位素质量: 287.16337693
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(CC1CC1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)ccc(c2)C)CC1CC1
• InChI: InChI=1S/C16H21N3O2/c1-12-3-6-15-17-14(11-19(15)9-12)16(20)18(7-8-21-2)10-13-4-5-13/h3,6,9,11,13H,4-5,7-8,10H2,1-2H3
• InChIKey: OZBPIWIUEZDIQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(cyclopropylmethyl)-N-(2-methoxyethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.68151
• LogD (pH = 7.4): 1.690302
• Log P: 1.6904154
• 摩尔折射率: 82.4629 cm^3
• 极化性: 30.751427 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: 1.35
• LOG S: -2.45
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6