2-(2-methyl-4-phenylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 660724
• Molecular Formular: C21H23N3O2
• Molecular Mass: 349.42622
• Monoisotopic Mass: 349.17902699
• SMILES: c1(C(=O)N2CC3(C(=O)NCCC3)CC2)c(c2ccccc2)ccnc1C
• Canonical SMILES: O=C1NCCCC21CCN(C2)C(=O)c1c(C)nccc1c1ccccc1
• InChI: InChI=1S/C21H23N3O2/c1-15-18(17(8-12-22-15)16-6-3-2-4-7-16)19(25)24-13-10-21(14-24)9-5-11-23-20(21)26/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,23,26)
• InChIKey: NZIUYPYFJOFFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-4-phenylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-methyl-4-phenylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-methyl-4-phenylpyridin-3-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1979065
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4546258
• LogD (pH = 7.4): 1.558874
• Log P: 1.5603943
• Molar Refractivity: 100.2168 cm^3
• Polarizability: 39.46484 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: 0.31
• LOG S: -3.32
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 2