N-cyclopropyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase编号: 430537
• 分子式: C18H26N4O2
• 平均质量: 330.42464
• 单一同位素质量: 330.20557609
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NC2CC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CC1)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C18H26N4O2/c23-18(14-1-4-17(19-13-14)20-15-2-3-15)22-7-5-16(6-8-22)21-9-11-24-12-10-21/h1,4,13,15-16H,2-3,5-12H2,(H,19,20)
• InChIKey: MZJYYJIJFJKNSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC传统名: N-cyclopropyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• 别名: N-cyclopropyl-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.6099365
• LogD (pH = 7.4): 0.09086327
• Log P: 0.39467168
• 摩尔折射率: 95.017 cm^3
• 极化性: 35.543068 Å^3
• 极化表面积: 57.7 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 0.35
• LOG S: -3.22
• 极化表面积: 57.7 Å^2
• 可自由旋转的化学键: 4