1-ethyl-4-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one

• ChemBase ID: 779205
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: C1(C(=O)N2Cc3c(CC2)nccc3)CN(C(=O)C1)CC
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C15H19N3O2/c1-2-17-10-12(8-14(17)19)15(20)18-7-5-13-11(9-18)4-3-6-16-13/h3-4,6,12H,2,5,7-10H2,1H3
• InChIKey: GSZWJONCJYHVFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
• IUPAC Traditional name: 4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-ethylpyrrolidin-2-one
• Synonyms: 4-(7,8-dihydro-1,6-naphthyridin-6(5H)-ylcarbonyl)-1-ethyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.42638177
• LogD (pH = 7.4): -0.40384674
• Log P: -0.40355116
• Molar Refractivity: 74.7922 cm^3
• Polarizability: 28.812757 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.12
• LOG S: -1.1
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2