3-methyl-7-[3-(2-oxo-1,2-dihydropyridin-1-yl)propanoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 547884
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: C1(=O)N(CC2(O1)CN(C(=O)CCn1c(=O)cccc1)CC2)C
• Canonical SMILES: O=C(N1CCC2(C1)OC(=O)N(C2)C)CCn1ccccc1=O
• InChI: InChI=1S/C15H19N3O4/c1-16-10-15(22-14(16)21)6-9-18(11-15)13(20)5-8-17-7-3-2-4-12(17)19/h2-4,7H,5-6,8-11H2,1H3
• InChIKey: KOGVEOULSYVYDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-[3-(2-oxo-1,2-dihydropyridin-1-yl)propanoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 3-methyl-7-[3-(2-oxopyridin-1-yl)propanoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 3-methyl-7-[3-(2-oxo-1(2H)-pyridinyl)propanoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.83878094
• LogD (pH = 7.4): -0.8387808
• Log P: -0.8387808
• Molar Refractivity: 79.7427 cm^3
• Polarizability: 30.095007 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.86
• LOG S: -2.0
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 3