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

• ChemBase ID: 542830
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(c2c(C(=O)N)cccn2)CC1
• Canonical SMILES: NC(=O)c1cccnc1N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C19H26N4O2/c20-16(24)15-6-2-9-21-17(15)23-11-8-19(13-23)7-3-10-22(18(19)25)12-14-4-1-5-14/h2,6,9,14H,1,3-5,7-8,10-13H2,(H2,20,24)
• InChIKey: RQQDLIXTMGCCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
• Synonyms: 2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.746153
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3389037
• LogD (pH = 7.4): 1.4835463
• Log P: 1.4857701
• Molar Refractivity: 96.8775 cm^3
• Polarizability: 36.383358 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.28
• LOG S: -2.79
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 4