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Home > Pyridines > 1422136-68-2
1422136-68-2 | (3S,4aS,8aR)-N-(pyrazin-2-yl)octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
CAS No: 1422136-68-2 Catalog No: AG01DI2S MDL No:
Product Description
Catalog Number:
AG01DI2S
Chemical Name:
(3S,4aS,8aR)-N-(pyrazin-2-yl)octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
CAS Number:
1422136-68-2
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
IUPAC Name:
(3S,4aS,8aR)-N-pyrazin-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
InChI:
InChI=1S/C13H18N4O2/c18-13(17-12-7-15-3-4-16-12)10-5-9-6-14-2-1-11(9)19-8-10/h3-4,7,9-11,14H,1-2,5-6,8H2,(H,16,17,18)/t9-,10-,11+/m0/s1
InChI Key:
WRSIWFHEOYQDKG-GARJFASQSA-N
SMILES:
O=C([C@@H]1CO[C@H]2[C@@H](C1)CNCC2)Nc1cnccn1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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