N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 23719
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(Nc1nc(N)ccc1)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1cccc(n1)N
• InChI: InChI=1S/C10H15N3O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H3,11,12,13,14)
• InChIKey: ZEQSQAMGUMPKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(6-Amino-pyridin-2-yl)-2,2-dimethyl-propionamide; N-(6-Amino-2-pyridinyl)-2,2-dimethylpropanamide; N-(6-Amino-pyridin-2-yl)-2,2-dimethyl-propionamide

Database IDs

• CAS Number: 132784-74-8
• MDL Number: MFCD07366717
• PubChem SID: 160987026
• PubChem CID: 15050440

CALCULATED PROPERTIES

• Acid pKa: 11.970196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6671122
• LogD (pH = 7.4): 2.1414163
• Log P: 2.1528094
• Molar Refractivity: 57.7939 cm^3
• Polarizability: 20.978193 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%; 98%
• Empirical Formula (Hill Notation): C10H15N3O

DETAILS

Sigma Aldrich - ADE000299

Other Notes
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