3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine

C16H22N2O2 — CID 66660650

IUPAC3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
SMILESC(=CC1CCNC1)c1cncc(OC2CCOCC2)c1
InChIInChI=1S/C16H22N2O2/c1(13-3-6-17-10-13)2-14-9-16(12-18-11-14)20-15-4-7-19-8-5-15/h1-2,9,11-13,15,17H,3-8,10H2
InChIKeyGZPNWUVQYHRUPP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds4

About 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine

3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine (PubChem CID 66660650) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine.

Molecular Properties

Compound Name3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
PubChem CID66660650
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
SMILESC(=CC1CCNC1)c1cncc(OC2CCOCC2)c1
InChIInChI=1S/C16H22N2O2/c1(13-3-6-17-10-13)2-14-9-16(12-18-11-14)20-15-4-7-19-8-5-15/h1-2,9,11-13,15,17H,3-8,10H2
InChIKeyGZPNWUVQYHRUPP-UHFFFAOYSA-N
XLogP2.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine?
The IUPAC name of 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine (CID 66660650) is 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine.
What is the SMILES notation for 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine?
The canonical SMILES for 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine is C(=CC1CCNC1)c1cncc(OC2CCOCC2)c1.
What is the InChIKey of 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine?
The InChIKey is GZPNWUVQYHRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1(13-3-6-17-10-13)2-14-9-16(12-18-11-14)20-15-4-7-19-8-5-15/h1-2,9,11-13,15,17H,3-8,10H2.
What are the key properties of 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine?
3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine has a molecular weight of 274.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine is sourced from PubChem (CID 66660650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).