2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
Basic information
- CAS
723753-93-3- Standard SMILES
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccnc1Cl- InChIKey
UYEGKMONOQEVAB-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O2
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0541321
Names & identifiers
- Preferred name
- 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
- IUPAC
- 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
- English name
- 2-chloro-N-[5-chloro-2-(4-morpholinyl)phenyl]nicotinamide
- Molecular formula
- C16H15Cl2N3O2
- Molecular weight
- 352.22
Names & synonyms
723753-93-32-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide2-chloro-N-[5-chloro-2-(4-morpholinyl)phenyl]nicotinamide2-chloro-N-[5-chloro-2-(morpholin-4-yl)phenyl]pyridine-3-carboxamideMLS000763302CHEMBL1867734DTXSID301324652HMS2792G17STK729395AKOS000459363SMR000439852AN-465/42887207
Show more names
3-Pyridinecarboxamide, 2-chloro-N-[5-chloro-2-(4-morpholinyl)phenyl]-
2-chloro-N-(5-chloro-2-morpholinophenyl)nicotinamide2-Chloro-N-(5-chloro-2-morpholin-4-yl-phenyl)-nicotinamide
Database identifiers
- CAS
723753-93-3- PubChem CID
- 1017983
- DTXSID
DTXSID301324652- ChEMBL
CHEMBL1867734
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Solubility49.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 464.8 · 464.8±45.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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