2-amino-N-(pyridin-4-yl)acetamide dihydrochloride

• ChemBase ID: 124439
• Molecular Formular: C7H11Cl2N3O
• Molecular Mass: 224.08774
• Monoisotopic Mass: 223.02791735
• SMILES: C(=O)(Nc1ccncc1)CN.Cl.Cl
• Canonical SMILES: NCC(=O)Nc1ccncc1.Cl.Cl
• InChI: InChI=1S/C7H9N3O.2ClH/c8-5-7(11)10-6-1-3-9-4-2-6;;/h1-4H,5,8H2,(H,9,10,11);2*1H
• InChIKey: DOTKQFMUGFSZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(pyridin-4-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-(pyridin-4-yl)acetamide dihydrochloride
• Synonyms: 2-amino-N-(pyridin-4-yl)acetamide dihydrochloride

Database IDs

• PubChem SID: 162218792
• PubChem CID: 44783824

CALCULATED PROPERTIES

• Acid pKa: 12.975465
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.621872
• LogD (pH = 7.4): -1.6161878
• Log P: -0.9308461
• Molar Refractivity: 42.1238 cm^3
• Polarizability: 15.839633 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl