1-(pyridin-3-ylmethyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one

• ChemBase ID: 462234
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: C1(C(=O)N2Cc3c(CC2)nccc3)CN(C(=O)C1)Cc1cnccc1
• Canonical SMILES: O=C1CC(CN1Cc1cccnc1)C(=O)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C19H20N4O2/c24-18-9-16(13-23(18)11-14-3-1-6-20-10-14)19(25)22-8-5-17-15(12-22)4-2-7-21-17/h1-4,6-7,10,16H,5,8-9,11-13H2
• InChIKey: VUFNBLKWUJBWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)pyrrolidin-2-one
• Synonyms: 4-(7,8-dihydro-1,6-naphthyridin-6(5H)-ylcarbonyl)-1-(3-pyridinylmethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3486633
• LogD (pH = 7.4): -0.25486368
• Log P: -0.25355843
• Molar Refractivity: 92.4993 cm^3
• Polarizability: 35.65725 Å^3
• Polar Surface Area: 66.4 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: -0.44
• LOG S: -1.29
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3