3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine

C21H22N2O — CID 10018791

IUPAC3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine
SMILESc1cncc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)c1
InChIInChI=1S/C21H22N2O/c1-2-11-23(10-1)12-13-24-21-8-7-17-14-18(5-6-19(17)15-21)20-4-3-9-22-16-20/h3-9,14-16H,1-2,10-13H2
InChIKeySNNSZUXDPJHYLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.38
Rot. Bonds5

About 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine

3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine (PubChem CID 10018791) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine
PubChem CID10018791
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine
SMILESc1cncc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)c1
InChIInChI=1S/C21H22N2O/c1-2-11-23(10-1)12-13-24-21-8-7-17-14-18(5-6-19(17)15-21)20-4-3-9-22-16-20/h3-9,14-16H,1-2,10-13H2
InChIKeySNNSZUXDPJHYLO-UHFFFAOYSA-N
XLogP4.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine 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 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine?
The IUPAC name of 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine (CID 10018791) is 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine is c1cncc(-c2ccc3cc(OCCN4CCCC4)ccc3c2)c1.
What is the InChIKey of 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine?
The InChIKey is SNNSZUXDPJHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-11-23(10-1)12-13-24-21-8-7-17-14-18(5-6-19(17)15-21)20-4-3-9-22-16-20/h3-9,14-16H,1-2,10-13H2.
What are the key properties of 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine?
3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]pyridine is sourced from PubChem (CID 10018791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).