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

• ChemBase ID: 360566
• Molecular Formular: C16H20N6O3
• Molecular Mass: 344.3684
• Monoisotopic Mass: 344.15968853
• SMILES: n1c(noc1CCNC(=O)C1CN(C(=O)N)CCC1)c1cnccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C16H20N6O3/c17-16(24)22-8-2-4-12(10-22)15(23)19-7-5-13-20-14(21-25-13)11-3-1-6-18-9-11/h1,3,6,9,12H,2,4-5,7-8,10H2,(H2,17,24)(H,19,23)
• InChIKey: CJQZWOZIBCWIMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.828769
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.11122996
• LogD (pH = 7.4): -0.10551737
• Log P: -0.10544393
• Molar Refractivity: 100.3921 cm^3
• Polarizability: 34.294987 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: -0.95
• LOG S: -2.21
• Polar Surface Area: 127.24 Å^2
• Rotatable Bonds: 5