N-(2,6-Dimethylphenyl)-2-picolinamide - ≥98% , CAS No.39627-98-0

CAS: 39627-98-0 Cat. No.: N184273 Molecular Weight: 226.3 EC Number: 700-273-2

GRADE & PURITY ≥98%

Synonyms

SY333642 | N-(2,6-dimethylphenyl)pyridine-2-carboxamide;N-(2,6-Dimethylphenyl)picolinamide | Bupivacaine EP Impurity A | Q27266364 | DTXSID1068190 | BUPIVACAINE HYDROCHLORIDE IMPURITY A [EP IMPURITY] | N-(2,6-dimethylphenyl)-2-pyridinecarboxamide | AN-329

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SY333642 | N-(2, 6-dimethylphenyl)pyridine-2-carboxamide;N-(2, 6-Dimethylphenyl)picolinamide | Bupivacaine EP Impurity A | Q27266364 | DTXSID1068190 | BUPIVACAINE HYDROCHLORIDE IMPURITY A [EP IMPURITY] | N-(2, 6-dimethylphenyl)-2-pyridinecarboxamide | AN-329

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2
• IUPAC Name: N-(2,6-dimethylphenyl)pyridine-2-carboxamide
• InChIKey: SHZDEASIMRREIQ-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)
• Isomeric SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2
• Molecular Weight: 226.3
• Reaxy-Rn: 181140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=181140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyridinecarboxamides m-Xylenes 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - M-xylene - Xylene - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 226.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.111 Da
• Monoisotopic Mass: 226.111 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 257.000
• 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