2-amino-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 265032
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(NCc1ncccc1)CN
• Canonical SMILES: NCC(=O)NCc1ccccn1
• InChI: InChI=1S/C8H11N3O/c9-5-8(12)11-6-7-3-1-2-4-10-7/h1-4H,5-6,9H2,(H,11,12)
• InChIKey: WMZPHHADOVYGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-amino-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-amino-N-(pyridin-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD09724217
• PubChem SID: 164320942
• PubChem CID: 22690349

CALCULATED PROPERTIES

• Acid pKa: 13.56453
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6532166
• LogD (pH = 7.4): -1.9522655
• Log P: -1.1424695
• Molar Refractivity: 44.6558 cm^3
• Polarizability: 17.687212 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.221

Product Information

• Purity: 95%