N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
Basic information
- CAS
443126-05-4- Standard SMILES
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1- InChIKey
LXIIQPWMPXSBAN-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.07284784
Names & identifiers
- Preferred name
- N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
- IUPAC
- N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
Names & synonyms
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide443126-05-4N-{4-[(2-thienylcarbonyl)amino]phenyl}nicotinamideOprea1_344220Oprea1_830043MLS000712969CHEMBL1508891DTXSID701329892HMS2665D05STK001346AKOS000468004SMR000282736
Show more names
ST041963AE-848/09351042N-(4-(thiophene-2-carboxamido)phenyl)nicotinamideSR-01000462004SR-01000462004-13-pyridyl-N-[4-(2-thienylcarbonylamino)phenyl]carboxamideN-{4-[(thiophen-2-ylcarbonyl)amino]phenyl}pyridine-3-carboxamideN-{4-[(Thiophene-2-carbonyl)amino]phenyl}pyridine-3-carboxamide
Database identifiers
- CAS
443126-05-4- PubChem CID
- 668683
- DTXSID
DTXSID701329892- ChEMBL
CHEMBL1508891
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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