N-cyclopropyl-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide

• ChemBase ID: 368293
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: C12(C(=O)NCCC2)CN(c2cc(C(=O)NC3CC3)ccn2)CC1
• Canonical SMILES: O=C1NCCCC21CCN(C2)c1nccc(c1)C(=O)NC1CC1
• InChI: InChI=1S/C17H22N4O2/c22-15(20-13-2-3-13)12-4-8-18-14(10-12)21-9-6-17(11-21)5-1-7-19-16(17)23/h4,8,10,13H,1-3,5-7,9,11H2,(H,19,23)(H,20,22)
• InChIKey: HJCXDWMAUWBLJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}pyridine-4-carboxamide
• Synonyms: N-cyclopropyl-2-(6-oxo-2,7-diazaspiro[4.5]dec-2-yl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Log P: 0.72618866
• Molar Refractivity: 87.5457 cm^3
• Polarizability: 32.71007 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.751154
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.666856
• LogD (pH = 7.4): 0.72538495

供应商提供(Chembridge)

• Log P: -2.79
• LOG S: -0.42
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 2