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1207384-48-2 molecular structure
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1-(2H3)methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

ChemBase ID: 175750
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
c1c(=O)n(cc(c1)C(=O)N)C
Canonical SMILES:
NC(=O)c1ccc(=O)n(c1)C
InChI:
InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
InChIKey:
JLQSXXWTCJPCBC-UHFFFAOYSA-N

Cite this record

CBID:175750 http://www.chembase.cn/molecule-175750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2H3)methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
IUPAC Traditional name
1-(2H3)methyl-6-oxopyridine-3-carboxamide
Synonyms
N-(Methyl-d3)-2-pyridoxone-5-carboxamide
N-(Methyl-d3)-2-pyridinone-5-carboxamide
1,6-Dihydro-1-(methyl-d3)-6-oxo-3-pyridinecarboxamide
1,6-Dihydro-1-(methyl-d3)-6-oxonicotinamide
3-Carbamoyl-1-(methyl-d3)-6-pyridone
N1-(Methyl-d3)-2-pyridone-5-carboxamide
Nudifloramide-d3
CAS Number
1207384-48-2
PubChem SID
164231660
PubChem CID
71751269

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N925502 external link Add to cart
PubChem 71751269 external link
Data Source Data ID Price
TRC
N925502 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751269 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.931644  H Acceptors
H Donor LogD (pH = 5.5) -1.1313825 
LogD (pH = 7.4) -1.1313512  Log P -1.1313508 
Molar Refractivity 40.7634 cm3 Polarizability 14.871225 Å3
Polar Surface Area 63.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Light Brown Solid expand Show data source
Melting Point
200-205°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N925502 external link
Labelled Nudifloramide (N925500). Nudifloramide is a metabolite of Niacin (or Nicorinic acid).

REFERENCES

REFERENCES

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  • • Felsted, R., et al.: J. Biol. Chem., 242, 1274 (1967)
  • • Igel, M., et al.: Eur. J. Clin. Pharmacol., 57, 357 (1967)
  • • Kashyap, M., et al.: Am. J. Cardiol., 89, 672 (1967)
  • • Bottorff, M., et al.: Am. J. Cardiol., 97, 27 (1967)
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PATENTS

PATENTS

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INTERNET

INTERNET

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