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Home > Pyridines > 828921-02-4
828921-02-4 | 2-Pyridinecarboxamide, N-[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS No: 828921-02-4 Catalog No: AG0054UE MDL No:
Product Description
Catalog Number:
AG0054UE
Chemical Name:
2-Pyridinecarboxamide, N-[4-chloro-5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS Number:
828921-02-4
Molecular Formula:
C13H13ClN4OS
Molecular Weight:
308.7865
IUPAC Name:
N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C13H13ClN4OS/c14-10-12(18-7-3-4-8-18)20-13(16-10)17-11(19)9-5-1-2-6-15-9/h1-2,5-6H,3-4,7-8H2,(H,16,17,19)
InChI Key:
LTBNUCYRIUKZIC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)Nc1nc(c(s1)N1CCCC1)Cl
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.784g/mol
Monoisotopic Mass:
308.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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