1-cyclopentyl-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

• ChemBase编号: 364145
• 分子式: C20H29N3O3
• 平均质量: 359.46256
• 单一同位素质量: 359.2208918
• SMILES: N1(C(=O)CC(C(=O)N(Cc2c(c(c(cn2)C)OC)C)C)C1)C1CCCC1
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)C1CC(=O)N(C1)C1CCCC1)C
• InChI: InChI=1S/C20H29N3O3/c1-13-10-21-17(14(2)19(13)26-4)12-22(3)20(25)15-9-18(24)23(11-15)16-7-5-6-8-16/h10,15-16H,5-9,11-12H2,1-4H3
• InChIKey: OOWWLHHHFSOKBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
• 别名: 1-cyclopentyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxo-3-pyrrolidinecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.524506
• LogD (pH = 7.4): 1.4183598
• Log P: 1.4752742
• 摩尔折射率: 99.7484 cm^3
• 极化性: 38.54657 Å^3
• 极化表面积: 62.74 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: 4
• 质子供体: 0
• Log P: 1.45
• LOG S: -3.06
• 极化表面积: 62.74 Å^2
• 可自由旋转的化学键: 5