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191161-15-6 | Pyridine, 3-(1-hexyn-1-yl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-
CAS No: 191161-15-6 Catalog No: AG002F2H MDL No:
Product Description
Catalog Number:
AG002F2H
Chemical Name:
Pyridine, 3-(1-hexyn-1-yl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-
CAS Number:
191161-15-6
Molecular Formula:
C17H24N2O
Molecular Weight:
272.3853
IUPAC Name:
3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
InChI:
InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
InChI Key:
RVAVBFSGDWYYEQ-INIZCTEOSA-N
SMILES:
CCCCC#Cc1cncc(c1)OC[C@@H]1CCCN1C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.392g/mol
Monoisotopic Mass:
272.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Novel pyridyl ring C5 substituted analogues of epibatidine and 3-(1-methyl-2(S)-pyrrolidinylmethoxy)pyridine (A-84543) as highly selective agents for neuronal nicotinic acetylcholine receptors containing beta2 subunits. | Journal of medicinal chemistry 20050324 |
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