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Home > Pyridines > 339028-41-0
339028-41-0 | 5-chloro-2-oxo-N-phenyl-1-(prop-2-yn-1-yl)-1,2-dihydropyridine-3-carboxamide
CAS No: 339028-41-0 Catalog No: AG00IVR0 MDL No:MFCD00141340
Product Description
Catalog Number:
AG00IVR0
Chemical Name:
5-chloro-2-oxo-N-phenyl-1-(prop-2-yn-1-yl)-1,2-dihydropyridine-3-carboxamide
CAS Number:
339028-41-0
Molecular Formula:
C15H11ClN2O2
Molecular Weight:
286.7130
MDL Number:
MFCD00141340
IUPAC Name:
5-chloro-2-oxo-N-phenyl-1-prop-2-ynylpyridine-3-carboxamide
InChI:
InChI=1S/C15H11ClN2O2/c1-2-8-18-10-11(16)9-13(15(18)20)14(19)17-12-6-4-3-5-7-12/h1,3-7,9-10H,8H2,(H,17,19)
InChI Key:
UTDIAGIQQXGUPZ-UHFFFAOYSA-N
SMILES:
C#CCn1cc(Cl)cc(c1=O)C(=O)Nc1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.715g/mol
Monoisotopic Mass:
286.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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