N-{1,9-dioxaspiro[5.5]undecan-4-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 746781
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: c1(=O)cc(C(=O)NC2CC3(OCC2)CCOCC3)ccn1CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C17H24N2O4/c1-2-19-7-3-13(11-15(19)20)16(21)18-14-4-8-23-17(12-14)5-9-22-10-6-17/h3,7,11,14H,2,4-6,8-10,12H2,1H3,(H,18,21)
• InChIKey: RDOSLFDZSSMJLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-1-ethyl-2-oxopyridine-4-carboxamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.402469
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.70472676
• LogD (pH = 7.4): -0.70472586
• Log P: -0.70472586
• Molar Refractivity: 87.2493 cm^3
• Polarizability: 33.211258 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.37
• LOG S: -2.39
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3