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347841-88-7 molecular structure
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(2H4)pyridine-3-carboxamide

ChemBase ID: 175096
Molecular Formular: C6H6N2O
Molecular Mass: 122.12464
Monoisotopic Mass: 122.04801282
SMILES and InChIs

SMILES:
c1cncc(c1)C(=O)N
Canonical SMILES:
NC(=O)c1cccnc1
InChI:
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey:
DFPAKSUCGFBDDF-UHFFFAOYSA-N

Cite this record

CBID:175096 http://www.chembase.cn/molecule-175096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H4)pyridine-3-carboxamide
IUPAC Traditional name
(2H4)pyridine-3-carboxamide
Synonyms
3-Pyridinecarboxamide-d4
3-(Aminocarbonyl)pyridine-d4
3-Amidopyridine-d4
3-Carbamoylpyridine-d4
3-Pyridinecarboxylic acid amide-d4
Aminicotin-d4
Benicot-d4
Nicosylamide-d4
Nicotilamide-d4
Nicotinic Acid Amide-d4
Vitamin B-d4
Vitamin B3-d4
Nicotinamide-d4
Nicotinamide-d4 (Major)
CAS Number
347841-88-7
PubChem SID
164231006
PubChem CID
15554909

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15554909 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.385762  H Acceptors
H Donor LogD (pH = 5.5) -0.39905858 
LogD (pH = 7.4) -0.39385277  Log P -0.3937863 
Molar Refractivity 32.9795 cm3 Polarizability 12.303309 Å3
Polar Surface Area 55.98 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
Methanol expand Show data source
Apperance
Pale Beige Solid expand Show data source
White Solid expand Show data source
Melting Point
125-127°C expand Show data source
129-131°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N407753 external link
Labelled Nicotinamide, precursor of the coenzymes NAD and NADP. Nicotinamide is a water soluble vitamin (enzyme cofactor).
Toronto Research Chemicals - N407752 external link
Labelled Nicotinamide, precursor of the coenzymes NAD and NADP. Nicotinamide is a water soluble vitamin (enzyme cofactor).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sharma, M., et al.: J. Chem. Pharm. Res., 2, 416 (2010)
  • • Al-Nadaf, A., et al.: Bioorg. Medi. Chem., 18, 3088 (2010)
  • • Viani, R., et al.: J. Food Sci., 39, 1216 (1974)
  • • Somoza, V., et al.: J. Agric. Food Chem., 51, 6861 (1974)
  • • Pfuhl, P., et al.: J. Pharm. Biomed. Anal., 36, 1045 (1974)
  • • Perrone, D., et al.: Food Chem., 110, 1030 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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