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1422066-65-6 | N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridine-4-carboxamide
CAS No: 1422066-65-6 Catalog No: AG01DI14 MDL No:
Product Description
Catalog Number:
AG01DI14
Chemical Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridine-4-carboxamide
CAS Number:
1422066-65-6
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
IUPAC Name:
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]pyridine-4-carboxamide
InChI:
InChI=1S/C14H19N3O2/c18-14(10-1-4-15-5-2-10)17-8-13-12-7-16-6-3-11(12)9-19-13/h1-2,4-5,11-13,16H,3,6-9H2,(H,17,18)/t11-,12-,13+/m0/s1
InChI Key:
CQGAROZHHWGXIQ-RWMBFGLXSA-N
SMILES:
O=C(c1ccncc1)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
318
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
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