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

• ChemBase ID: 320706
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(C(=O)CC(C(=O)N2Cc3c(CC2)nccc3)C1)C1CC1
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CC(=O)N(C1)C1CC1
• InChI: InChI=1S/C16H19N3O2/c20-15-8-12(10-19(15)13-3-4-13)16(21)18-7-5-14-11(9-18)2-1-6-17-14/h1-2,6,12-13H,3-5,7-10H2
• InChIKey: PXVKDGXCUPKOOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3176252
• LogD (pH = 7.4): -0.29509017
• Log P: -0.2947946
• Molar Refractivity: 77.2548 cm^3
• Polarizability: 29.928087 Å^3
• Polar Surface Area: 53.51 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 0
• Log P: -0.29
• LOG S: -1.04
• Polar Surface Area: 53.51 Å^2