2-amino-N,N-dimethylpyridine-4-carboxamide

• ChemBase ID: 242178
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(c1cc(ncc1)N)N(C)C
• Canonical SMILES: Nc1nccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C8H11N3O/c1-11(2)8(12)6-3-4-10-7(9)5-6/h3-5H,1-2H3,(H2,9,10)
• InChIKey: ZIFFOQAGOVCTAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylpyridine-4-carboxamide
• IUPAC Traditional name: 2-amino-N,N-dimethylpyridine-4-carboxamide
• Synonyms: 2-amino-N,N-dimethylpyridine-4-carboxamide

Database IDs

• MDL Number: MFCD16688693
• PubChem SID: 164298088
• PubChem CID: 62154659

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.30591232
• LogD (pH = 7.4): -0.18274267
• Log P: -0.18090262
• Molar Refractivity: 47.7868 cm^3
• Polarizability: 17.099892 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): -0.75

Product Information

• Purity: 95%