2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile

• ChemBase ID: 463577
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(c2c(C#N)ccc(n2)C)CC1
• Canonical SMILES: N#Cc1ccc(nc1N1CCC2(C1)CCCN(C2=O)CC1CCC1)C
• InChI: InChI=1S/C20H26N4O/c1-15-6-7-17(12-21)18(22-15)24-11-9-20(14-24)8-3-10-23(19(20)25)13-16-4-2-5-16/h6-7,16H,2-5,8-11,13-14H2,1H3
• InChIKey: DDHCVRFYHFGSRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
• Synonyms: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-6-methylnicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6178308
• LogD (pH = 7.4): 2.6225357
• Log P: 2.622596
• Molar Refractivity: 98.1122 cm^3
• Polarizability: 37.130535 Å^3
• Polar Surface Area: 60.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.75
• LOG S: -4.28
• Polar Surface Area: 60.23 Å^2
• Rotatable Bonds: 3