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

• ChemBase ID: 268141
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(c1cc(N)ccn1)N(C)C
• Canonical SMILES: CN(C(=O)c1nccc(c1)N)C
• InChI: InChI=1S/C8H11N3O/c1-11(2)8(12)7-5-6(9)3-4-10-7/h3-5H,1-2H3,(H2,9,10)
• InChIKey: HBLGIPPIOWMYMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12189433
• PubChem SID: 164324051
• PubChem CID: 43517476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4860278
• LogD (pH = 7.4): -0.39088073
• Log P: -0.38950983
• Molar Refractivity: 47.1013 cm^3
• Polarizability: 17.101143 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%