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Home > Pyridines > 400088-55-3
400088-55-3 | 2-cyano-N-(pyridin-4-yl)acetamide
CAS No: 400088-55-3 Catalog No: AG01A3KG MDL No:MFCD01570101
Product Description
Catalog Number:
AG01A3KG
Chemical Name:
2-cyano-N-(pyridin-4-yl)acetamide
CAS Number:
400088-55-3
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD01570101
IUPAC Name:
2-cyano-N-pyridin-4-ylacetamide
InChI:
InChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12)
InChI Key:
NXYFYWIFFJYFCE-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccncc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| 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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