Nudifloramide-d3 - ≥95 atom% D,≥95% , CAS No.1207384-48-2

CAS: 1207384-48-2 Cat. No.: N349303 Molecular Weight: 155.17

GRADE & PURITY ≥95 atom% D,≥95%

Synonyms

CHEBI:145118 | 1-(~2~H_3_)Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide | 6-Oxo-1-(trideuteriomethyl)pyridine-3-carboxamide | Nudifloramide-d3 | 1-(methyl-d3)-2-pyridoxone-5-carboxamide | DTXSID70858232 | 1207384-48-2 | Met-2Pyr-d3 | d3 Me-2-py | MS-2287

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

CHEBI:145118 | 1-(~2~H_3_)Methyl-6-oxo-1, 6-dihydropyridine-3-carboxamide | 6-Oxo-1-(trideuteriomethyl)pyridine-3-carboxamide | Nudifloramide-d3 | 1-(methyl-d3)-2-pyridoxone-5-carboxamide | DTXSID70858232 | 1207384-48-2 | Met-2Pyr-d3 | d3 Me-2-py | MS-2287

Specifications & Purity

≥95 atom% D, ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥95 atom% D, ≥95%

Names and Identifiers

• Pubchem Sid: 504772225
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772225
• Canonical Smiles: CN1C=C(C=CC1=O)C(=O)N
• IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
• InChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-N
• INCHI: 1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])N1C=C(C=CC1=O)C(=O)N
• Molecular Weight: 155.17
• Reaxy-Rn: 124385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Pyridinones Dihydropyridines Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Dihydropyridine - Pyridinone - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Primary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

• Solubility: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• Melt Point(°C): 200-205° C (dec.)
• Molecular Weight: 155.170 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.077 Da
• Monoisotopic Mass: 155.077 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 3
• 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