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Home > Pyridines > 1422068-76-5
1422068-76-5 | (4R,4aS,8aR)-N-cyclobutyloctahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
CAS No: 1422068-76-5 Catalog No: AG01DH3Q MDL No:
Product Description
Catalog Number:
AG01DH3Q
Chemical Name:
(4R,4aS,8aR)-N-cyclobutyloctahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
CAS Number:
1422068-76-5
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
(4R,4aS,8aR)-N-cyclobutyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
InChI:
InChI=1S/C13H22N2O2/c16-13(15-9-2-1-3-9)10-5-7-17-12-4-6-14-8-11(10)12/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12-/m1/s1
InChI Key:
DPYWIKLQWFCIAS-IJLUTSLNSA-N
SMILES:
O=C([C@@H]1CCO[C@H]2[C@@H]1CNCC2)NC1CCC1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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