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

• ChemBase ID: 33634
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: C(N1CCOCC1)(C(=O)N)c1ncccc1
• Canonical SMILES: NC(=O)C(c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C11H15N3O2/c12-11(15)10(9-3-1-2-4-13-9)14-5-7-16-8-6-14/h1-4,10H,5-8H2,(H2,12,15)
• InChIKey: NEOSOWFAVCWRJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03761250
• PubChem SID: 160996941
• PubChem CID: 5108072

CALCULATED PROPERTIES

• Acid pKa: 15.518226
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2804898
• LogD (pH = 7.4): -0.25304437
• Log P: -0.25268298
• Molar Refractivity: 58.7984 cm^3
• Polarizability: 23.186356 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