7-(2-methoxypyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 831106
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)c1cc(ncc1)OC)CC2
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCC2(C1)CC(=O)NC2=O
• InChI: InChI=1S/C14H15N3O4/c1-21-11-6-9(2-4-15-11)12(19)17-5-3-14(8-17)7-10(18)16-13(14)20/h2,4,6H,3,5,7-8H2,1H3,(H,16,18,20)
• InChIKey: HVDBLAXKQKHQRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxypyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(2-methoxypyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(2-methoxyisonicotinoyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110259
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.63988173
• LogD (pH = 7.4): -0.64068204
• Log P: -0.63984585
• Molar Refractivity: 72.6883 cm^3
• Polarizability: 27.61963 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.39
• LOG S: -1.9
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 2