N-ethyl-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N-methylpyridine-3-carboxamide

• ChemBase编号: 583908
• 分子式: C20H29N5O2
• 平均质量: 371.47656
• 单一同位素质量: 371.23212519
• SMILES: c1(C2CN(c3ncc(C(=O)N(CC)C)cc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1ccc(cn1)C(=O)N(CC)C
• InChI: InChI=1S/C20H29N5O2/c1-4-23(2)20(26)16-7-8-18(22-14-16)25-10-5-6-17(15-25)19-21-9-11-24(19)12-13-27-3/h7-9,11,14,17H,4-6,10,12-13,15H2,1-3H3
• InChIKey: WEPJNDGBSUTDBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N-methylpyridine-3-carboxamide
• IUPAC传统名: N-ethyl-6-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-N-methylpyridine-3-carboxamide
• 别名: N-ethyl-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N-methylnicotinamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.7097947
• LogD (pH = 7.4): 1.6101952
• Log P: 1.7197801
• 摩尔折射率: 107.2415 cm^3
• 极化性: 39.883183 Å^3
• 极化表面积: 63.49 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.41
• LOG S: -2.26
• 极化表面积: 63.49 Å^2
• 可自由旋转的化学键: 7