5-cyano-N,N-dimethylpyridine-2-carboxamide

• ChemBase ID: 279525
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: C(=O)(c1ncc(C#N)cc1)N(C)C
• Canonical SMILES: N#Cc1ccc(nc1)C(=O)N(C)C
• InChI: InChI=1S/C9H9N3O/c1-12(2)9(13)8-4-3-7(5-10)6-11-8/h3-4,6H,1-2H3
• InChIKey: AKSXADYDAQVBMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyano-N,N-dimethylpyridine-2-carboxamide
• IUPAC Traditional name: 5-cyano-N,N-dimethylpyridine-2-carboxamide
• Synonyms: 5-cyano-N,N-dimethylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD18872250
• PubChem SID: 164335435
• PubChem CID: 54595312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.29551232
• LogD (pH = 7.4): 0.29551232
• Log P: 0.29551232
• Molar Refractivity: 48.1225 cm^3
• Polarizability: 17.80089 Å^3
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.947

Product Information

• Purity: 95%