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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Pyridinecarboxylic acid, 2-(4-((2-((2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)- , CAS No.676559-83-4
Synonyms
ABT-279 | ABT 279 | UNII-L094VD806K | 4-Pyridinecarboxylic acid, 2-(4-((2-((2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)- | L094VD806K | A-804693 | 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
ABT-279 | ABT 279 | UNII-L094VD806K | 4-Pyridinecarboxylic acid, 2-(4-((2-((2S, 5R)-2-cyano-5-ethynyl-1-pyrrolidinyl)-2-oxoethyl)amino)-4-methyl-1-piperidinyl)- | L094VD806K | A-804693 | 2-[4-[[2-[(2S, 5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]
Product Properties Names and Identifiers Canonical Smiles CC1(CCN(CC1)C2=NC=CC(=C2)C(=O)O)NCC(=O)N3C(CCC3C#N)C#C IUPAC Name 2-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid InChIKey FIMRNLAKAARHPD-IRXDYDNUSA-N INCHI 1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1 Isomeric SMILES CC1(CCN(CC1)C2=NC=CC(=C2)C(=O)O)NCC(=O)N3[C@H](CC[C@H]3C#N)C#C PubChem CID 16049769 Molecular Weight 395.5
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid amides Alternative Parents Pyridinecarboxylic acids Dialkylarylamines N-acylpyrrolidines Aminopiperidines Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Acetylides Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-amino acid amide - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - N-acylpyrrolidine - Dialkylarylamine - 4-aminopiperidine - Aminopyridine - Piperidine - Imidolactam - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Amino acid - Acetylide - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 395.500 g/mol XLogP3 -1.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 395.196 Da Monoisotopic Mass 395.196 Da Topological Polar Surface Area 110.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 727.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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
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