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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N |
|---|---|
| IUPAC Name | 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide |
| InChIKey | JUWCRUSLOJGRGA-UHFFFAOYSA-N |
| INCHI | 1S/C21H14BrN5OS/c22-12-6-8-13(9-7-12)26-20(28)18-17(24)16-15(11-4-2-1-3-5-11)14(10-23)19(25)27-21(16)29-18/h1-9H,24H2,(H2,25,27)(H,26,28) |
| Peso molecular | 464.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Phenylpyridines Thienopyridines Pyridinecarboxamides Thiophene carboxamides 2-heteroaryl carboxamides Aminopyridines and derivatives Bromobenzenes Aminothiophenes Aryl bromides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - 4-phenylpyridine - Pyridinecarboxamide - Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aminopyridine - Halobenzene - Bromobenzene - Aminothiophene - Aryl bromide - Pyridine - Aryl halide - Imidolactam - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organopnictogen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Peso molecular | 464.300 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 463.01 Da |
| Monoisotopic Mass | 463.01 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 642.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide , CAS No.332175-01-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)