2-(2-aminopyridine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 474217
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2cc(ncc2)N)CC1
• Canonical SMILES: Nc1nccc(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C15H20N4O2/c1-18-7-2-4-15(14(18)21)5-8-19(10-15)13(20)11-3-6-17-12(16)9-11/h3,6,9H,2,4-5,7-8,10H2,1H3,(H2,16,17)
• InChIKey: PAIZRWKSEUXSQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminopyridine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-aminopyridine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-aminoisonicotinoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: -0.56
• LOG S: -2.13
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 1
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 80.3997 cm^3
• Polarizability: 29.761244 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.35018486
• LogD (pH = 7.4): -0.23076867
• Log P: -0.22899356