N-(6-chloropyridin-3-yl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 533552
• Molecular Formular: C18H23ClN4O2
• Molecular Mass: 362.85382
• Monoisotopic Mass: 362.15095368
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)Nc1cnc(Cl)cc1)CCC2)C1CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)C1CC1)Nc1ccc(nc1)Cl
• InChI: InChI=1S/C18H23ClN4O2/c19-15-5-2-13(10-20-15)21-17(25)22-9-1-7-18(11-22)8-6-16(24)23(12-18)14-3-4-14/h2,5,10,14H,1,3-4,6-9,11-12H2,(H,21,25)
• InChIKey: GVIYBXFBBXIBRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-chloropyridin-3-yl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• IUPAC Traditional name: N-(6-chloropyridin-3-yl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• Synonyms: N-(6-chloro-3-pyridinyl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.117418
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4373249
• LogD (pH = 7.4): 1.4373196
• Log P: 1.4373275
• Molar Refractivity: 97.3196 cm^3
• Polarizability: 36.707237 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.62
• LOG S: -3.23
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2