2-(morpholin-4-yl)-2-(pyridin-4-yl)acetamide

• ChemBase ID: 33635
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: N1(C(C(=O)N)c2ccncc2)CCOCC1
• Canonical SMILES: NC(=O)C(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C11H15N3O2/c12-11(15)10(9-1-3-13-4-2-9)14-5-7-16-8-6-14/h1-4,10H,5-8H2,(H2,12,15)
• InChIKey: REWIGGQBAYLJCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(pyridin-4-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-2-(pyridin-4-yl)acetamide
• Synonyms: 2-Morpholin-4-yl-2-pyridin-4-ylacetamide

Database IDs

• MDL Number: MFCD12026896
• PubChem SID: 160996942
• PubChem CID: 25219323

CALCULATED PROPERTIES

• Acid pKa: 15.527025
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7821654
• LogD (pH = 7.4): -0.64060694
• Log P: -0.6385333
• Molar Refractivity: 59.1704 cm^3
• Polarizability: 23.184937 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false