8-(4,6-dimethylpyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 358973
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(C(=O)N2CCC3(NC(=O)C(C3)c3ccccc3)CC2)c(cc(nc1)C)C
• Canonical SMILES: O=C1NC2(CC1c1ccccc1)CCN(CC2)C(=O)c1cnc(cc1C)C
• InChI: InChI=1S/C22H25N3O2/c1-15-12-16(2)23-14-19(15)21(27)25-10-8-22(9-11-25)13-18(20(26)24-22)17-6-4-3-5-7-17/h3-7,12,14,18H,8-11,13H2,1-2H3,(H,24,26)
• InChIKey: RNKHHDUNGSHUEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4,6-dimethylpyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(4,6-dimethylpyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(4,6-dimethyl-3-pyridinyl)carbonyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.838261
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3317275
• LogD (pH = 7.4): 1.5521725
• Log P: 1.5559437
• Molar Refractivity: 104.6856 cm^3
• Polarizability: 39.86712 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.69
• LOG S: -2.44
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 2