N-(2,6-dichloropyridin-4-yl)morpholine-4-carboxamide

• ChemBase ID: 84350
• Molecular Formular: C10H11Cl2N3O2
• Molecular Mass: 276.11924
• Monoisotopic Mass: 275.02283197
• SMILES: n1c(cc(cc1Cl)NC(=O)N1CCOCC1)Cl
• Canonical SMILES: O=C(N1CCOCC1)Nc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C10H11Cl2N3O2/c11-8-5-7(6-9(12)14-8)13-10(16)15-1-3-17-4-2-15/h5-6H,1-4H2,(H,13,14,16)
• InChIKey: CHZRAUUGWYVBAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dichloropyridin-4-yl)morpholine-4-carboxamide
• IUPAC Traditional name: N-(2,6-dichloropyridin-4-yl)morpholine-4-carboxamide
• Synonyms: N4-(2,6-dichloro-4-pyridyl)morpholine-4-carboxamide

Database IDs

• MDL Number: MFCD00110211
• PubChem SID: 162071466
• PubChem CID: 2781938

CALCULATED PROPERTIES

• Acid pKa: 12.395765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5370336
• LogD (pH = 7.4): 1.5370294
• Log P: 1.5370336
• Molar Refractivity: 68.0409 cm^3
• Polarizability: 24.970308 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true