N-methyl-N-(pyridin-3-yl)acetamide

• ChemBase ID: 244828
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: N(C(=O)C)(c1cnccc1)C
• Canonical SMILES: CC(=O)N(c1cccnc1)C
• InChI: InChI=1S/C8H10N2O/c1-7(11)10(2)8-4-3-5-9-6-8/h3-6H,1-2H3
• InChIKey: DIBVGDONZMMHTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-(pyridin-3-yl)acetamide
• Synonyms: N-methyl-N-(pyridin-3-yl)acetamide

Database IDs

• MDL Number: MFCD01566849
• PubChem SID: 164300738
• PubChem CID: 2727860

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.16876349
• LogD (pH = 7.4): -0.14299127
• Log P: -0.14265017
• Molar Refractivity: 41.88 cm^3
• Polarizability: 16.15007 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.39

Product Information

• Purity: 95%