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Home > Pyridines > 1224846-01-8
1224846-01-8 | [2,3'-Bipyridine]-4-carboxamide, N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)-
CAS No: 1224846-01-8 Catalog No: AG0017AJ MDL No:MFCD22572350
Product Description
Catalog Number:
AG0017AJ
Chemical Name:
[2,3'-Bipyridine]-4-carboxamide, N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)-
CAS Number:
1224846-01-8
Molecular Formula:
C23H21N5O3S
Molecular Weight:
447.5095
MDL Number:
MFCD22572350
IUPAC Name:
N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
InChI:
InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
InChI Key:
VSOUDUXMPUHJEU-UHFFFAOYSA-N
SMILES:
COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC
UNII:
M8238285OA
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.137g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.513g/mol
Monoisotopic Mass:
447.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. | Bioorganic & medicinal chemistry letters 20141015 |
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