3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine

C19H18N2 — CID 10754812

IUPAC3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine
SMILESc1ccc2c(-c3cnccc3N3CCCC3)cccc2c1
InChIInChI=1S/C19H18N2/c1-2-8-16-15(6-1)7-5-9-17(16)18-14-20-11-10-19(18)21-12-3-4-13-21/h1-2,5-11,14H,3-4,12-13H2
InChIKeyKFECOVSBVPLPSJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.50
Rot. Bonds2

About 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine

3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine (PubChem CID 10754812) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine
PubChem CID10754812
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine
SMILESc1ccc2c(-c3cnccc3N3CCCC3)cccc2c1
InChIInChI=1S/C19H18N2/c1-2-8-16-15(6-1)7-5-9-17(16)18-14-20-11-10-19(18)21-12-3-4-13-21/h1-2,5-11,14H,3-4,12-13H2
InChIKeyKFECOVSBVPLPSJ-UHFFFAOYSA-N
XLogP4.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine?
The IUPAC name of 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine (CID 10754812) is 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine is c1ccc2c(-c3cnccc3N3CCCC3)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine?
The InChIKey is KFECOVSBVPLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-8-16-15(6-1)7-5-9-17(16)18-14-20-11-10-19(18)21-12-3-4-13-21/h1-2,5-11,14H,3-4,12-13H2.
What are the key properties of 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine?
3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine has a molecular weight of 274.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-4-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 10754812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).