N-(5-aminopyridin-2-yl)cyclopropanecarboxamide

• ChemBase ID: 272552
• Molecular Formular: C9H11N3O
• Molecular Mass: 177.20314
• Monoisotopic Mass: 177.09021199
• SMILES: C(=O)(Nc1ncc(N)cc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cn1)N
• InChI: InChI=1S/C9H11N3O/c10-7-3-4-8(11-5-7)12-9(13)6-1-2-6/h3-6H,1-2,10H2,(H,11,12,13)
• InChIKey: BVMZQTANRUNAPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopyridin-2-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(5-aminopyridin-2-yl)cyclopropanecarboxamide
• Synonyms: N-(5-aminopyridin-2-yl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD08899200
• PubChem SID: 164328462
• PubChem CID: 18524625

CALCULATED PROPERTIES

• Acid pKa: 12.513366
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.50146925
• LogD (pH = 7.4): 0.53811824
• Log P: 0.53861153
• Molar Refractivity: 51.1772 cm^3
• Polarizability: 18.417835 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.749

Product Information

• Purity: 95%