2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 825804
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: C12(C(=O)N(CCC2)CCC)CN(CC(=O)NCc2ncccc2)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)CC(=O)NCc1ccccn1
• InChI: InChI=1S/C19H28N4O2/c1-2-10-23-11-5-7-19(18(23)25)8-12-22(15-19)14-17(24)21-13-16-6-3-4-9-20-16/h3-4,6,9H,2,5,7-8,10-15H2,1H3,(H,21,24)
• InChIKey: STHYOHWRPNZCIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(6-oxo-7-propyl-2,7-diazaspiro[4.5]dec-2-yl)-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.727249
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0500424
• LogD (pH = 7.4): -0.26855007
• Log P: 0.5043982
• Molar Refractivity: 96.6106 cm^3
• Polarizability: 37.69757 Å^3
• Polar Surface Area: 65.54 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: 1.04
• LOG S: -1.3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6