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Basic Description
| Synonyms | A846453 | AKOS014316237 | EN300-332821 | FT-0730541 | SY211938 | SB34151 | TS-02126 | F18358 | MFCD00572866 | BDBM50339017 | 1H-Indole-7-carboxylic acid amide | BAA67089 | SCHEMBL1651352 | 1H-INDOLE-7-CARBOXAMIDE | OXCXIABGNNQZOF-UHFFFAOYSA-N | 1H-Indole- |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Indoles Benzenoids Vinylogous amides Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - Indole - Benzenoid - Pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 1H-indole-7-carboxamide |
|---|---|
| INCHI | InChI=1S/C9H8N2O/c10-9(12)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,(H2,10,12) |
| InChIKey | OXCXIABGNNQZOF-UHFFFAOYSA-N |
| Smiles | C1=CC2=C(C(=C1)C(=O)N)NC=C2 |
| Isomeric SMILES | C1=CC2=C(C(=C1)C(=O)N)NC=C2 |
| Alternate CAS | 1670-89-9 |
| PubChem CID | 13415516 |
| Molecular Weight | 160.17 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 160.170 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 160.064 Da |
| Monoisotopic Mass | 160.064 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
Solution Calculators
Reviews
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