N3-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1,3-dicarboxamide

• ChemBase ID: 582662
• Molecular Formular: C16H20N6O3
• Molecular Mass: 344.3684
• Monoisotopic Mass: 344.15968853
• SMILES: c1(nc(on1)CCNC(=O)C1CN(C(=O)N)CCC1)c1ncccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C16H20N6O3/c17-16(24)22-9-3-4-11(10-22)15(23)19-8-6-13-20-14(21-25-13)12-5-1-2-7-18-12/h1-2,5,7,11H,3-4,6,8-10H2,(H2,17,24)(H,19,23)
• InChIKey: WATFUFAOZQGVNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine-1,3-dicarboxamide
• Synonyms: N~3~-{2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.861134
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.28166905
• LogD (pH = 7.4): 0.28166917
• Log P: 0.28166917
• Molar Refractivity: 100.0201 cm^3
• Polarizability: 34.30275 Å^3
• Polar Surface Area: 127.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.36
• LOG S: -1.86
• Polar Surface Area: 127.24 Å^2
• Rotatable Bonds: 5