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3128-29-8 | N-Methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CAS No: 3128-29-8 Catalog No: AG003S75 MDL No:MFCD26132040
Product Description
Catalog Number:
AG003S75
Chemical Name:
N-Methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CAS Number:
3128-29-8
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD26132040
IUPAC Name:
N-methyl-4-oxo-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C7H8N2O2/c1-8-7(11)5-4-9-3-2-6(5)10/h2-4H,1H3,(H,8,11)(H,9,10)
InChI Key:
BYSMVNPWERSAPZ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c[nH]ccc1=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Distribution of purine nucleotides in uremic fluids and tissues. | Journal of renal nutrition : the official journal of the Council on Renal Nutrition of the National Kidney Foundation 20100901 |
| Metabonomics study of urine and plasma in depression and excess fatigue rats by ultra fast liquid chromatography coupled with ion trap-time of flight mass spectrometry. | Molecular bioSystems 20100501 |
| Integration of metabolomics and transcriptomics data to aid biomarker discovery in type 2 diabetes. | Molecular bioSystems 20100501 |
| Development of a hydrophilic liquid interaction chromatography-high-performance liquid chromatography-tandem mass spectrometry based stable isotope dilution analysis and pharmacokinetic studies on bioactive pyridines in human plasma and urine after coffee consumption. | Analytical chemistry 20100215 |
| Nicotinamide metabolites accumulate in the tissues of uremic rats. | Journal of renal nutrition : the official journal of the Council on Renal Nutrition of the National Kidney Foundation 20080101 |
| Plasma and urine pharmacokinetics of niacin and its metabolites from an extended-release niacin formulation. | International journal of clinical pharmacology and therapeutics 20070801 |
| Relationship between uremic toxins and oxidative stress in patients with chronic renal failure. | Scandinavian journal of urology and nephrology 20070101 |
| Metabonomics evaluations of age-related changes in the urinary compositions of male Sprague Dawley rats and effects of data normalization methods on statistical and quantitative analysis. | BMC bioinformatics 20070101 |
| Accumulation of poly(ADP-ribose) polymerase inhibitors in children with chronic renal failure. | Pediatric nephrology (Berlin, Germany) 20060601 |
| Estimation of aldehyde oxidase activity in vivo from conversion ratio of N1-methylnicotinamide to pyridones, and intraspecies variation of the enzyme activity in rats. | Drug metabolism and disposition: the biological fate of chemicals 20060201 |
| Tryptophan-NAD+ pathway metabolites as putative biomarkers and predictors of peroxisome proliferation. | Archives of toxicology 20050401 |
| Development of a multivariate statistical model to predict peroxisome proliferation in the rat, based on urinary 1H-NMR spectral patterns. | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20040101 |
| Potential urinary and plasma biomarkers of peroxisome proliferation in the rat: identification of N-methylnicotinamide and N-methyl-4-pyridone-3-carboxamide by 1H nuclear magnetic resonance and high performance liquid chromatography. | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20030101 |
| Identification of N1-methyl-2-pyridone-5-carboxamide and N1-methyl-4-pyridone-5-carboxamide as components in urine extracts of individuals consuming coffee. | Journal of pharmaceutical and biomedical analysis 20021015 |
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