2-amino-N-(pyridin-3-yl)acetamide

• ChemBase ID: 267814
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(Nc1cnccc1)CN
• Canonical SMILES: NCC(=O)Nc1cccnc1
• InChI: InChI=1S/C7H9N3O/c8-4-7(11)10-6-2-1-3-9-5-6/h1-3,5H,4,8H2,(H,10,11)
• InChIKey: VJDJWMYXCWMVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-amino-N-(pyridin-3-yl)acetamide
• Synonyms: 2-amino-N-(pyridin-3-yl)acetamide

Database IDs

• MDL Number: MFCD09932697
• PubChem SID: 164323724
• PubChem CID: 10654394

CALCULATED PROPERTIES

• Acid pKa: 12.212876
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3321633
• LogD (pH = 7.4): -1.609908
• Log P: -0.9308461
• Molar Refractivity: 42.1238 cm^3
• Polarizability: 15.841177 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.419

Product Information

• Purity: 95%