6-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-N-methylpyridine-2-carboxamide

• ChemBase ID: 577406
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(c2nc(C(=O)NC)ccc2)CC1
• Canonical SMILES: CNC(=O)c1cccc(n1)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C20H28N4O2/c1-21-18(25)16-8-4-9-17(22-16)23-13-11-20(14-23)10-5-12-24(19(20)26)15-6-2-3-7-15/h4,8-9,15H,2-3,5-7,10-14H2,1H3,(H,21,25)
• InChIKey: FPRRRRUHWNTSPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.612308
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2244549
• LogD (pH = 7.4): 2.2248473
• Log P: 2.2248523
• Molar Refractivity: 101.2724 cm^3
• Polarizability: 38.224304 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.42
• LOG S: -2.75
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3