2-oxo-N-{2-[(pyridin-3-yl)amino]ethyl}-1-oxaspiro[4.5]decane-4-carboxamide

• ChemBase ID: 616366
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C1(C2(OC(=O)C1)CCCCC2)C(=O)NCCNc1cnccc1
• Canonical SMILES: O=C1CC(C2(O1)CCCCC2)C(=O)NCCNc1cccnc1
• InChI: InChI=1S/C17H23N3O3/c21-15-11-14(17(23-15)6-2-1-3-7-17)16(22)20-10-9-19-13-5-4-8-18-12-13/h4-5,8,12,14,19H,1-3,6-7,9-11H2,(H,20,22)
• InChIKey: BIAPELOZKVPLHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-{2-[(pyridin-3-yl)amino]ethyl}-1-oxaspiro[4.5]decane-4-carboxamide
• IUPAC Traditional name: 2-oxo-N-[2-(pyridin-3-ylamino)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
• Synonyms: 2-oxo-N-[2-(pyridin-3-ylamino)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387813
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44831318
• LogD (pH = 7.4): 0.71942014
• Log P: 0.72480255
• Molar Refractivity: 86.1426 cm^3
• Polarizability: 33.210598 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.7
• LOG S: -2.23
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 5