N-(6-methylpyridin-3-yl)spiro[2.5]octane-1-carboxamide

• ChemBase ID: 654210
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: C1(C2(C1)CCCCC2)C(=O)Nc1cnc(cc1)C
• Canonical SMILES: O=C(C1CC21CCCCC2)Nc1ccc(nc1)C
• InChI: InChI=1S/C15H20N2O/c1-11-5-6-12(10-16-11)17-14(18)13-9-15(13)7-3-2-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
• InChIKey: MKSBRVNCSHDESH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-3-yl)spiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(6-methylpyridin-3-yl)spiro[2.5]octane-1-carboxamide
• Synonyms: N-(6-methyl-3-pyridinyl)spiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.849218
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2470124
• LogD (pH = 7.4): 2.3598309
• Log P: 2.3614964
• Molar Refractivity: 71.7793 cm^3
• Polarizability: 27.50658 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.34
• LOG S: -3.83
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2