4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide - ≥98% , CAS No.284462-37-9

CAS: 284462-37-9 Cat. No.: A124048 Molecular Weight: 243.27 EC Number: 608-211-5

GRADE & PURITY ≥98%

Synonyms

4-(4-Aminophenoxy)-N-methylpicolinamide | FT-0661989 | 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide | 4-(2-(N-methylcarbarnoyl)-4-pyridyloxy)aniline | AM20061802 | AKOS005174935 | EN300-146904 | RXZZBPYPZLAEFC-UHFFFAOYSA-N | SCHEMBL235245 | UNII-RE33

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(4-Aminophenoxy)-N-methylpicolinamide | FT-0661989 | 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide | 4-(2-(N-methylcarbarnoyl)-4-pyridyloxy)aniline | AM20061802 | AKOS005174935 | EN300-146904 | RXZZBPYPZLAEFC-UHFFFAOYSA-N | SCHEMBL235245 | UNII-RE33

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199392
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199392
• Canonical Smiles: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
• IUPAC Name: 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
• InChIKey: RXZZBPYPZLAEFC-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)
• Isomeric SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
• Molecular Weight: 243.27
• Reaxy-Rn: 11461032
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11461032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Pyridinecarboxamides Phenoxy compounds Phenol ethers Aniline and substituted anilines 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

• Melt Point(°C): 118 °C
• Molecular Weight: 243.260 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.101 Da
• Monoisotopic Mass: 243.101 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 277.000
• 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

References

1. Hongyin Wang, Yu Liang, Yida Yu, Yihao Wang, Ni An, Dong Cai.  (2025)  Chemoselectivity Profiling in the Alkylation of 2-Chloroethylurea Derivatives with Secondary Amines.  LETTERS IN ORGANIC CHEMISTRY,  22  (8): (633-641).  [PMID:] [10.2174/0115701786357824250117052847]