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10128-92-4 | 3-Pyridinecarboxamide, 1,2-dihydro-2-oxo-
CAS No: 10128-92-4 Catalog No: AG00045J MDL No:
Product Description
Catalog Number:
AG00045J
Chemical Name:
3-Pyridinecarboxamide, 1,2-dihydro-2-oxo-
CAS Number:
10128-92-4
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
2-oxo-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C6H6N2O2/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChI Key:
PQCVYHSKABCYON-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc[nH]c1=O
NSC Number:
87090
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Carbamoyl pyridone HIV-1 integrase inhibitors. 1. Molecular design and establishment of an advanced two-metal binding pharmacophore. | Journal of medicinal chemistry 20121025 |
| Discovery of S-777469: an orally available CB2 agonist as an antipruritic agent. | Bioorganic & medicinal chemistry letters 20120415 |
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