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Home > Pyridines > 1422134-48-2
1422134-48-2 | (3aS,4S,7aS)-N-(pyridin-3-ylmethyl)octahydrofuro[2,3-c]pyridine-4-carboxamide
CAS No: 1422134-48-2 Catalog No: AG01DI0Z MDL No:
Product Description
Catalog Number:
AG01DI0Z
Chemical Name:
(3aS,4S,7aS)-N-(pyridin-3-ylmethyl)octahydrofuro[2,3-c]pyridine-4-carboxamide
CAS Number:
1422134-48-2
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
IUPAC Name:
(3aS,4S,7aS)-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-c]pyridine-4-carboxamide
InChI:
InChI=1S/C14H19N3O2/c18-14(17-7-10-2-1-4-15-6-10)12-8-16-9-13-11(12)3-5-19-13/h1-2,4,6,11-13,16H,3,5,7-9H2,(H,17,18)/t11-,12+,13+/m0/s1
InChI Key:
KHACBDHSXXKJBJ-YNEHKIRRSA-N
SMILES:
O=C([C@@H]1CNC[C@@H]2[C@H]1CCO2)NCc1cccnc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
261.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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