N'1-[2-(pyridin-3-yloxy)propyl]cyclopropane-1,1-dicarboxamide

• ChemBase ID: 567260
• Molecular Formular: C13H17N3O3
• Molecular Mass: 263.29238
• Monoisotopic Mass: 263.12699142
• SMILES: C1(CC1)(C(=O)NCC(Oc1cnccc1)C)C(=O)N
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C13H17N3O3/c1-9(19-10-3-2-6-15-8-10)7-16-12(18)13(4-5-13)11(14)17/h2-3,6,8-9H,4-5,7H2,1H3,(H2,14,17)(H,16,18)
• InChIKey: FYYJUFHAFKVFHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-[2-(pyridin-3-yloxy)propyl]cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-[2-(pyridin-3-yloxy)propyl]cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-[2-(pyridin-3-yloxy)propyl]cyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.755733
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31092134
• LogD (pH = 7.4): -0.24404079
• Log P: -0.24309954
• Molar Refractivity: 67.6163 cm^3
• Polarizability: 26.576237 Å^3
• Polar Surface Area: 94.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.31
• LOG S: -1.31
• Polar Surface Area: 94.31 Å^2
• Rotatable Bonds: 6