6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile

• ChemBase ID: 865883
• Molecular Formular: C16H22N4
• Molecular Mass: 270.37268
• Monoisotopic Mass: 270.18444672
• SMILES: c1(N2CCC3(CN(CC3)C)CC2)c(C#N)ccc(n1)C
• Canonical SMILES: N#Cc1ccc(nc1N1CCC2(CC1)CCN(C2)C)C
• InChI: InChI=1S/C16H22N4/c1-13-3-4-14(11-17)15(18-13)20-9-6-16(7-10-20)5-8-19(2)12-16/h3-4H,5-10,12H2,1-2H3
• InChIKey: WDQCKIJQTNXNIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
• IUPAC Traditional name: 6-methyl-2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}pyridine-3-carbonitrile
• Synonyms: 6-methyl-2-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)nicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5756167
• LogD (pH = 7.4): -0.37172583
• Log P: 1.8374159
• Molar Refractivity: 81.8919 cm^3
• Polarizability: 30.812338 Å^3
• Polar Surface Area: 43.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.14
• LOG S: -2.26
• Polar Surface Area: 43.16 Å^2
• Rotatable Bonds: 1