pyridine-2,5-dicarboxamide

• ChemBase ID: 56266
• Molecular Formular: C7H7N3O2
• Molecular Mass: 165.14938
• Monoisotopic Mass: 165.05382648
• SMILES: c1(cnc(cc1)C(=O)N)C(=O)N
• Canonical SMILES: NC(=O)c1ccc(cn1)C(=O)N
• InChI: InChI=1S/C7H7N3O2/c8-6(11)4-1-2-5(7(9)12)10-3-4/h1-3H,(H2,8,11)(H2,9,12)
• InChIKey: LEIAZUKOBVWTEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,5-dicarboxamide
• IUPAC Traditional name: pyridine-2,5-dicarboxamide
• Synonyms: Pyridine-2,5-dicarboxamide

Database IDs

• CAS Number: 4663-96-1
• MDL Number: MFCD00457415
• PubChem SID: 162061029
• PubChem CID: 9793923

CALCULATED PROPERTIES

• Acid pKa: 12.96608
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1572963
• LogD (pH = 7.4): -1.1572946
• Log P: -1.1572957
• Molar Refractivity: 41.6859 cm^3
• Polarizability: 15.199783 Å^3
• Polar Surface Area: 99.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false