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Home > Pyridines > 794554-78-2
794554-78-2 | 5-cyano-4-(furan-2-yl)-N,N,2-trimethyl-6-sulfanylpyridine-3-carboxamide
CAS No: 794554-78-2 Catalog No: AG019NQ2 MDL No:MFCD06366751
Product Description
Catalog Number:
AG019NQ2
Chemical Name:
5-cyano-4-(furan-2-yl)-N,N,2-trimethyl-6-sulfanylpyridine-3-carboxamide
CAS Number:
794554-78-2
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
MDL Number:
MFCD06366751
IUPAC Name:
5-cyano-4-(furan-2-yl)-N,N,2-trimethyl-6-sulfanylidene-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C14H13N3O2S/c1-8-11(14(18)17(2)3)12(10-5-4-6-19-10)9(7-15)13(20)16-8/h4-6H,1-3H3,(H,16,20)
InChI Key:
PCDKYPPLWKROQV-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc(c(c1c1ccco1)C(=O)N(C)C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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