5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine

C18H22N2OS — CID 167750330

IUPAC5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine
SMILESc1csc(CCN2CCC(Oc3ccc(C4CC4)cn3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-17(22-11-1)8-10-20-9-7-16(13-20)21-18-6-5-15(12-19-18)14-3-4-14/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2
InChIKeyLETKEHDRPMLYEE-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.72
Rot. Bonds6

About 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine

5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine (PubChem CID 167750330) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine
PubChem CID167750330
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine
SMILESc1csc(CCN2CCC(Oc3ccc(C4CC4)cn3)C2)c1
InChIInChI=1S/C18H22N2OS/c1-2-17(22-11-1)8-10-20-9-7-16(13-20)21-18-6-5-15(12-19-18)14-3-4-14/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2
InChIKeyLETKEHDRPMLYEE-UHFFFAOYSA-N
XLogP3.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine (CID 167750330) is 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine is c1csc(CCN2CCC(Oc3ccc(C4CC4)cn3)C2)c1.
What is the InChIKey of 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is LETKEHDRPMLYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-17(22-11-1)8-10-20-9-7-16(13-20)21-18-6-5-15(12-19-18)14-3-4-14/h1-2,5-6,11-12,14,16H,3-4,7-10,13H2.
What are the key properties of 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine?
5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine has a molecular weight of 314.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 167750330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).