6-amino-N,N-dimethylpyridine-2-carboxamide

• ChemBase ID: 278746
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(c1nc(N)ccc1)N(C)C
• Canonical SMILES: CN(C(=O)c1cccc(n1)N)C
• InChI: InChI=1S/C8H11N3O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3,(H2,9,10)
• InChIKey: UUTMYJXKQAVIIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N,N-dimethylpyridine-2-carboxamide
• IUPAC Traditional name: 6-amino-N,N-dimethylpyridine-2-carboxamide
• Synonyms: 6-amino-N,N-dimethylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD16698040
• PubChem SID: 164334656
• PubChem CID: 54594977

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20405155
• LogD (pH = 7.4): 0.20493643
• Log P: 0.20494771
• Molar Refractivity: 47.4148 cm^3
• Polarizability: 17.105225 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.75

Product Information

• Purity: 95%