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4663-98-3 | 3,4-Pyridinedicarboxamide
CAS No: 4663-98-3 Catalog No: AG003IJE MDL No:
Product Description
Catalog Number:
AG003IJE
Chemical Name:
3,4-Pyridinedicarboxamide
CAS Number:
4663-98-3
IUPAC Name:
pyridine-3,4-dicarboxamide
InChI:
InChI=1S/C7H7N3O2/c8-6(11)4-1-2-10-3-5(4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)
InChI Key:
JYUVRSQEAUFLHD-UHFFFAOYSA-N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| 4-Carbamoylpyridin-1-ium 2,2,2-tri-chloro-acetate-isonicotinamide (1/1). | Acta crystallographica. Section E, Structure reports online 20120901 |
| Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates. | PloS one 20120101 |
| Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. | ChemMedChem 20110801 |
| NMR structures of apo L. casei dihydrofolate reductase and its complexes with trimethoprim and NADPH: contributions to positive cooperative binding from ligand-induced refolding, conformational changes, and interligand hydrophobic interactions. | Biochemistry 20110510 |
| Structure and reaction mechanism of basil eugenol synthase. | PloS one 20070101 |
| Calorimetric studies of ligand binding in R67 dihydrofolate reductase. | Biochemistry 20050920 |
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