2-{3-oxo-9-[3-(pyridin-3-yl)propyl]-2,9-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 407422
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCCc1cnccc1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CC2(CCN(CC2)CCCc2cccnc2)CCC1=O
• InChI: InChI=1S/C19H28N4O2/c20-17(24)14-23-15-19(6-5-18(23)25)7-11-22(12-8-19)10-2-4-16-3-1-9-21-13-16/h1,3,9,13H,2,4-8,10-12,14-15H2,(H2,20,24)
• InChIKey: GZFREAAGUOOLOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-oxo-9-[3-(pyridin-3-yl)propyl]-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: 2-{3-oxo-9-[3-(pyridin-3-yl)propyl]-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: 2-[3-oxo-9-(3-pyridin-3-ylpropyl)-2,9-diazaspiro[5.5]undec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.101042
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5133443
• LogD (pH = 7.4): -1.9767952
• Log P: -0.014215937
• Molar Refractivity: 96.8687 cm^3
• Polarizability: 37.624252 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.38
• LOG S: -0.74
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 6