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84951-58-6 | 2-cyano-N-(pyridin-2-ylmethyl)acetamide
CAS No: 84951-58-6 Catalog No: AG00G7KH MDL No:MFCD00828756
Product Description
Catalog Number:
AG00G7KH
Chemical Name:
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CAS Number:
84951-58-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD00828756
IUPAC Name:
2-cyano-N-(pyridin-2-ylmethyl)acetamide
InChI:
InChI=1S/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13)
InChI Key:
FAJRBOZBEUZSRG-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NCc1ccccn1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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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