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1562-12-5 | 3-Pyridinecarbonitrile, 1-amino-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS No: 1562-12-5 Catalog No: AG001OKS MDL No:MFCD00086187
Product Description
Catalog Number:
AG001OKS
Chemical Name:
3-Pyridinecarbonitrile, 1-amino-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number:
1562-12-5
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD00086187
IUPAC Name:
1-amino-4,6-dimethyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C8H9N3O/c1-5-3-6(2)11(10)8(12)7(5)4-9/h3H,10H2,1-2H3
InChI Key:
IOUFHSGKGXNGDO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)N)C
NSC Number:
520431
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-microbial activity of some 1- substituted amino-4,6-dimethyl-2-oxo-pyridine-3-carbonitrile derivatives. | European journal of medicinal chemistry 20111001 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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