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Home > Pyridines > 1422135-56-5
1422135-56-5 | (3aR,7aR)-N-(pyridin-3-yl)octahydrofuro[3,2-c]pyridine-3a-carboxamide
CAS No: 1422135-56-5 Catalog No: AG01DHJQ MDL No:
Product Description
Catalog Number:
AG01DHJQ
Chemical Name:
(3aR,7aR)-N-(pyridin-3-yl)octahydrofuro[3,2-c]pyridine-3a-carboxamide
CAS Number:
1422135-56-5
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
IUPAC Name:
(3aR,7aR)-N-pyridin-3-yl-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
InChI:
InChI=1S/C13H17N3O2/c17-12(16-10-2-1-5-14-8-10)13-4-7-18-11(13)3-6-15-9-13/h1-2,5,8,11,15H,3-4,6-7,9H2,(H,16,17)/t11-,13-/m1/s1
InChI Key:
KICXHRNUNBCQGR-DGCLKSJQSA-N
SMILES:
O=C([C@@]12CNCC[C@H]2OCC1)Nc1cccnc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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