2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine

C20H26FN3O — CID 135323126

IUPAC2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine
SMILESCCOCC1(CCc2ccc(F)cn2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26FN3O/c1-2-25-16-20(8-7-19-6-5-18(21)13-23-19)9-11-24(15-20)14-17-4-3-10-22-12-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3
InChIKeyOEDJNURUACNRMW-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.48
Rot. Bonds8

About 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine

2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine (PubChem CID 135323126) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine
PubChem CID135323126
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine
SMILESCCOCC1(CCc2ccc(F)cn2)CCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26FN3O/c1-2-25-16-20(8-7-19-6-5-18(21)13-23-19)9-11-24(15-20)14-17-4-3-10-22-12-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3
InChIKeyOEDJNURUACNRMW-UHFFFAOYSA-N
XLogP3.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine?
The IUPAC name of 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine (CID 135323126) is 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine.
What is the SMILES notation for 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine?
The canonical SMILES for 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine is CCOCC1(CCc2ccc(F)cn2)CCN(Cc2cccnc2)C1.
What is the InChIKey of 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine?
The InChIKey is OEDJNURUACNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-25-16-20(8-7-19-6-5-18(21)13-23-19)9-11-24(15-20)14-17-4-3-10-22-12-17/h3-6,10,12-13H,2,7-9,11,14-16H2,1H3.
What are the key properties of 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine?
2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine has a molecular weight of 343.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(ethoxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]ethyl]-5-fluoropyridine is sourced from PubChem (CID 135323126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).