N,N'-bis(pyridin-3-yl)butanediamide

• ChemBase ID: 255981
• Molecular Formular: C14H14N4O2
• Molecular Mass: 270.28656
• Monoisotopic Mass: 270.11167571
• SMILES: C(=O)(Nc1cnccc1)CCC(=O)Nc1cnccc1
• Canonical SMILES: O=C(Nc1cccnc1)CCC(=O)Nc1cccnc1
• InChI: InChI=1S/C14H14N4O2/c19-13(17-11-3-1-7-15-9-11)5-6-14(20)18-12-4-2-8-16-10-12/h1-4,7-10H,5-6H2,(H,17,19)(H,18,20)
• InChIKey: OMDYSEKJIOTTTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis(pyridin-3-yl)butanediamide
• IUPAC Traditional name: N,N'-bis(pyridin-3-yl)butanediamide
• Synonyms: N,N'-dipyridin-3-ylsuccinamide

Database IDs

• MDL Number: MFCD03399520
• PubChem SID: 164311891
• PubChem CID: 897084

CALCULATED PROPERTIES

• Acid pKa: 12.399509
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.022457588
• LogD (pH = 7.4): 0.03402147
• Log P: 0.034775972
• Molar Refractivity: 75.7778 cm^3
• Polarizability: 27.903122 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.075

Product Information

• Purity: 95%