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201551-23-7 | 2-Pyridinecarboxamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis-
CAS No: 201551-23-7 Catalog No: AG002DHS MDL No:
Product Description
Catalog Number:
AG002DHS
Chemical Name:
2-Pyridinecarboxamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis-
CAS Number:
201551-23-7
Molecular Formula:
C18H20N4O2
Molecular Weight:
324.3770
IUPAC Name:
N-[(1R,2R)-2-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
InChI:
InChI=1S/C18H20N4O2/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16/h3-6,9-14H,1-2,7-8H2,(H,21,23)(H,22,24)/t13-,14-/m1/s1
InChI Key:
BVYFDUZVVBXFBQ-ZIAGYGMSSA-N
SMILES:
O=C(c1ccccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
324.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.384g/mol
Monoisotopic Mass:
324.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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