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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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).