N,N-diethyl-1-[2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide

• ChemBase ID: 757282
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)N1CC(C(=O)N(CC)CC)CCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)Cn1ccc2c(c1=O)cccn2)CC
• InChI: InChI=1S/C20H26N4O3/c1-3-22(4-2)19(26)15-7-6-11-23(13-15)18(25)14-24-12-9-17-16(20(24)27)8-5-10-21-17/h5,8-10,12,15H,3-4,6-7,11,13-14H2,1-2H3
• InChIKey: ZCZFSAUVZIMFNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-[2-(5-oxo-5,6-dihydro-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-[(5-oxo-1,6-naphthyridin-6(5H)-yl)acetyl]piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.28685
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2623677
• LogD (pH = 7.4): 0.2652934
• Log P: 0.26533082
• Molar Refractivity: 102.7694 cm^3
• Polarizability: 38.863773 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.82
• LOG S: -2.6
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 5