≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product description：
positive allosteric modulator of mGlu5 receptors
| Pubchem Sid | 504771185 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771185 |
| Canonical Smiles | C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F.Cl |
| IUPAC Name | N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride |
| InChIKey | NBGAPTWZQXSEAA-UHFFFAOYSA-N |
| INCHI | 1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H |
| Isomeric SMILES | C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F.Cl |
| PubChem CID | 53384852 |
| Molecular Weight | 330.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Pyridinecarboxamides |
| Direct Parent | Nicotinamides |
| Alternative Parents | Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nicotinamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2527094 | Certificate of Analysis | Sep 08, 2025 | V286830 |
| I2216539 | Certificate of Analysis | Jun 09, 2025 | V286830 |
| I2216540 | Certificate of Analysis | Jun 09, 2025 | V286830 |
| I2216541 | Certificate of Analysis | Jun 09, 2025 | V286830 |
| I2216542 | Certificate of Analysis | Jun 09, 2025 | V286830 |
| I2216554 | Certificate of Analysis | Jun 09, 2025 | V286830 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 16.54, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 8.27, Max Conc. mM: 25 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 330.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 330.094 Da |
| Monoisotopic Mass | 330.094 Da |
| Topological Polar Surface Area | 42.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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 | 2 |
