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

• ChemBase ID: 579456
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: N1(C(=O)CC(C(=O)N2Cc3c(CC2)nccc3)C1)C(C)(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CC(=O)N(C1)C(C)(C)C
• InChI: InChI=1S/C17H23N3O2/c1-17(2,3)20-11-13(9-15(20)21)16(22)19-8-6-14-12(10-19)5-4-7-18-14/h4-5,7,13H,6,8-11H2,1-3H3
• InChIKey: JKFPDXSKPNFESF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2707699
• LogD (pH = 7.4): 0.29330495
• Log P: 0.29360053
• Molar Refractivity: 83.8492 cm^3
• Polarizability: 32.48788 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: 0.58
• LOG S: -0.59
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2