N-cyclopropyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase编号: 623516
• 分子式: C19H22N4O2
• 平均质量: 338.40358
• 单一同位素质量: 338.17427596
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(NC2CC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C19H22N4O2/c24-19(14-3-6-18(21-12-14)22-15-4-5-15)23-10-7-16(8-11-23)25-17-2-1-9-20-13-17/h1-3,6,9,12-13,15-16H,4-5,7-8,10-11H2,(H,21,22)
• InChIKey: RUYJVVBYCKSFNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC传统名: N-cyclopropyl-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• 别名: N-cyclopropyl-5-{[4-(3-pyridinyloxy)-1-piperidinyl]carbonyl}-2-pyridinamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.83240867
• LogD (pH = 7.4): 1.0181979
• Log P: 1.0209048
• 摩尔折射率: 96.3187 cm^3
• 极化性: 36.05839 Å^3
• 极化表面积: 67.35 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: 1
• Log P: 1.35
• LOG S: -4.33
• 极化表面积: 67.35 Å^2
• 可自由旋转的化学键: 5