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Home > Pyridines > 1243243-89-1
1243243-89-1 | Benzeneacetamide, 4-(2-methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]-
CAS No: 1243243-89-1 Catalog No: AG000LUB MDL No:MFCD22201167
Product Description
Catalog Number:
AG000LUB
Chemical Name:
Benzeneacetamide, 4-(2-methyl-4-pyridinyl)-N-[4-(3-pyridinyl)phenyl]-
CAS Number:
1243243-89-1
Molecular Formula:
C25H21N3O
Molecular Weight:
379.4537
MDL Number:
MFCD22201167
IUPAC Name:
2-[4-(2-methylpyridin-4-yl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide
InChI:
InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
InChI Key:
KHZOJCQBHJUJFY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)c1cccnc1)Cc1ccc(cc1)c1ccnc(c1)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.463g/mol
Monoisotopic Mass:
379.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
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