N-(6-methoxypyridin-3-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 662596
• Molecular Formular: C15H20N4O4
• Molecular Mass: 320.3437
• Monoisotopic Mass: 320.14845514
• SMILES: C(=O)(N1CCC2(OC(=O)NC2)CCC1)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)N1CCCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C15H20N4O4/c1-22-12-4-3-11(9-16-12)18-13(20)19-7-2-5-15(6-8-19)10-17-14(21)23-15/h3-4,9H,2,5-8,10H2,1H3,(H,17,21)(H,18,20)
• InChIKey: PXKLTVNALZWZIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-(6-methoxypyridin-3-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.23225
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4626631
• LogD (pH = 7.4): 0.46279097
• Log P: 0.4627986
• Molar Refractivity: 83.0253 cm^3
• Polarizability: 31.404348 Å^3
• Polar Surface Area: 92.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.87
• LOG S: -2.28
• Polar Surface Area: 92.79 Å^2
• Rotatable Bonds: 2