≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | COC1=CC=CC(=C1)NC(=O)C(CC2=CC=NC=C2)C#N |
|---|---|
| IUPAC Name | 2-cyano-N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide |
| InChIKey | RHLKWFRWHLAEED-UHFFFAOYSA-N |
| INCHI | 1S/C16H15N3O2/c1-21-15-4-2-3-14(10-15)19-16(20)13(11-17)9-12-5-7-18-8-6-12/h2-8,10,13H,9H2,1H3,(H,19,20) |
| Isomeric SMILES | COC1=CC=CC(=C1)NC(=O)C(CC2=CC=NC=C2)C#N |
| PubChem CID | 647672 |
| Molecular Weight | 281.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Pyridines and derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Fatty amide - Pyridine - Fatty acyl - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Molecular Weight | 281.310 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 281.116 Da |
| Monoisotopic Mass | 281.116 Da |
| Topological Polar Surface Area | 75.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
