5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine

C19H20N2OS — CID 21182907

IUPAC5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESc1ccc2sc(-c3ccc(OCCN4CCCC4)nc3)cc2c1
InChIInChI=1S/C19H20N2OS/c1-2-6-17-15(5-1)13-18(23-17)16-7-8-19(20-14-16)22-12-11-21-9-3-4-10-21/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyNZDCYLRWNDHUFA-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.44
Rot. Bonds5

About 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine

5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 21182907) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID21182907
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESc1ccc2sc(-c3ccc(OCCN4CCCC4)nc3)cc2c1
InChIInChI=1S/C19H20N2OS/c1-2-6-17-15(5-1)13-18(23-17)16-7-8-19(20-14-16)22-12-11-21-9-3-4-10-21/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyNZDCYLRWNDHUFA-UHFFFAOYSA-N
XLogP4.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[6-(2-pyrrolidin-1-yl-ethoxy)-pyridin-3-yl]-benzo[b]thiophen-6-ol
CID 9959071
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-thiophen-2-yl-pyridine
CID 15480240
3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
CID 1634
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
1-[[4-(1-benzothiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 42163550
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
7-(1-benzothiophen-3-yl)-9-methyl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 122180288

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine (CID 21182907) is 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine is c1ccc2sc(-c3ccc(OCCN4CCCC4)nc3)cc2c1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is NZDCYLRWNDHUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-6-17-15(5-1)13-18(23-17)16-7-8-19(20-14-16)22-12-11-21-9-3-4-10-21/h1-2,5-8,13-14H,3-4,9-12H2.
What are the key properties of 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine?
5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 324.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-2-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 21182907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).