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Home > Pyridines > 1422061-49-1
1422061-49-1 | (3S,4aS,8aR)-N-(2-(pyridin-2-yl)ethyl)octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
CAS No: 1422061-49-1 Catalog No: AG01DJ2B MDL No:
Product Description
Catalog Number:
AG01DJ2B
Chemical Name:
(3S,4aS,8aR)-N-(2-(pyridin-2-yl)ethyl)octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
CAS Number:
1422061-49-1
Molecular Formula:
C16H23N3O2
Molecular Weight:
289.3727
IUPAC Name:
(3S,4aS,8aR)-N-(2-pyridin-2-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-3-carboxamide
InChI:
InChI=1S/C16H23N3O2/c20-16(19-8-4-14-3-1-2-6-18-14)13-9-12-10-17-7-5-15(12)21-11-13/h1-3,6,12-13,15,17H,4-5,7-11H2,(H,19,20)/t12-,13-,15+/m0/s1
InChI Key:
CGNUZRDABAMHFQ-KCQAQPDRSA-N
SMILES:
O=C([C@@H]1CO[C@H]2[C@@H](C1)CNCC2)NCCc1ccccn1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
289.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.379g/mol
Monoisotopic Mass:
289.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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