3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Basic information
- CAS
340817-80-3- Standard SMILES
Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1- InChIKey
HKRBXLITKWGPCH-UHFFFAOYSA-N- Molecular formula
- C16H14FN3OS
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.08416141
Names & identifiers
- Preferred name
- 3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Names & synonyms
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide340817-80-3Oprea1_463602Oprea1_594941MLS001211634CHEMBL1601355SCHEMBL23695577HKRBXLITKWGPCH-UHFFFAOYSA-NDTXSID101327048HMS2874C24KUC110115NSTK079103
Show more names
AKOS000587424SS-0866SMR000517273ST071909KSC-230-124-1AM-807/12426086SR-01000467366SR-01000467366-1
Database identifiers
- CAS
340817-80-3- PubChem CID
- 712295
- DTXSID
DTXSID101327048- ChEMBL
CHEMBL1601355
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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