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

• ChemBase ID: 611767
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: C12(C(=O)N(CCC2)C)CN(c2cc(C(=O)N)ccn2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)c1nccc(c1)C(=O)N
• InChI: InChI=1S/C15H20N4O2/c1-18-7-2-4-15(14(18)21)5-8-19(10-15)12-9-11(13(16)20)3-6-17-12/h3,6,9H,2,4-5,7-8,10H2,1H3,(H2,16,20)
• InChIKey: SMMAXUBMXHQEFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 29.760273 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.855163
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.19467907
• LogD (pH = 7.4): 0.25972375
• Log P: 0.2606241
• Molar Refractivity: 80.3345 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1
• Log P: -0.06
• LOG S: -2.56