N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 346831
• 分子式: C18H23N3O2
• 平均质量: 313.39412
• 单一同位素质量: 313.17902699
• SMILES: c1(n2c(nc1)cccc2)C(=O)N(CC1OCCC1)CC1CCC1
• Canonical SMILES: O=C(c1cnc2n1cccc2)N(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C18H23N3O2/c22-18(16-11-19-17-8-1-2-9-21(16)17)20(12-14-5-3-6-14)13-15-7-4-10-23-15/h1-2,8-9,11,14-15H,3-7,10,12-13H2
• InChIKey: OHTDXQHSWLWTSU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-(cyclobutylmethyl)-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5397096
• LogD (pH = 7.4): 1.6201282
• Log P: 1.6212779
• 摩尔折射率: 89.4834 cm^3
• 极化性: 33.78029 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.72
• LOG S: -2.95
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5