2-(2,2-Dimethyl-propionylamino)-isonicotinamide - ≥95% , CAS No.470463-37-7

CAS: 470463-37-7 Cat. No.: D170482 Peso molecular: 221.26 PubChem CID: 17750158

GRADE & PURITY ≥95%

Synonyms

2-(2,2-dimethylpropanamido)pyridine-4-carboxamide | MFCD04039861 | 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxamide | 2-(2,2-Dimethyl-propionylamino)-isonicotinamide, AldrichCPR | AB17406 | VTA46337 | DTXSID70590307 | 2-(2,2-Dimethylpropionylamin

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(2, 2-dimethylpropanamido)pyridine-4-carboxamide | MFCD04039861 | 2-[(2, 2-dimethyl-1-oxopropyl)amino]-4-pyridinecarboxamide | 2-(2, 2-Dimethyl-propionylamino)-isonicotinamide, AldrichCPR | AB17406 | VTA46337 | DTXSID70590307 | 2-(2, 2-Dimethylpropionylamin

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488199507
• Sonrisas canónicas: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)N
• IUPAC Name: 2-(2,2-dimethylpropanoylamino)pyridine-4-carboxamide
• InChIKey: ZBCDVWVOQORNCR-UHFFFAOYSA-N
• INCHI: 1S/C11H15N3O2/c1-11(2,3)10(16)14-8-6-7(9(12)15)4-5-13-8/h4-6H,1-3H3,(H2,12,15)(H,13,14,16)
• Isómeros SMILES: CC(C)(C)C(=O)NC1=NC=CC(=C1)C(=O)N
• PubChem CID: 17750158
• Peso molecular: 221.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: N-arylamides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - N-arylamide - Imidolactam - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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

Propiedades químicas y físicas

• Peso molecular: 221.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.116 Da
• Monoisotopic Mass: 221.116 Da
• Topological Polar Surface Area: 85.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 283.000
• 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