3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine

C22H24N2O — CID 52917739

IUPAC3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine
SMILESC[C@@H]1CCCN1CCOc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C22H24N2O/c1-17-4-3-11-24(17)12-13-25-22-9-8-18-14-19(6-7-20(18)15-22)21-5-2-10-23-16-21/h2,5-10,14-17H,3-4,11-13H2,1H3/t17-/m1/s1
InChIKeyJPTVBRQTPCDBIB-QGZVFWFLSA-N
MW332.45 g/mol
LogP4.76
Rot. Bonds5

About 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine

3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine (PubChem CID 52917739) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine
PubChem CID52917739
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine
SMILESC[C@@H]1CCCN1CCOc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C22H24N2O/c1-17-4-3-11-24(17)12-13-25-22-9-8-18-14-19(6-7-20(18)15-22)21-5-2-10-23-16-21/h2,5-10,14-17H,3-4,11-13H2,1H3/t17-/m1/s1
InChIKeyJPTVBRQTPCDBIB-QGZVFWFLSA-N
XLogP4.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine?
The IUPAC name of 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine (CID 52917739) is 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine is C[C@@H]1CCCN1CCOc1ccc2cc(-c3cccnc3)ccc2c1.
What is the InChIKey of 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine?
The InChIKey is JPTVBRQTPCDBIB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2O/c1-17-4-3-11-24(17)12-13-25-22-9-8-18-14-19(6-7-20(18)15-22)21-5-2-10-23-16-21/h2,5-10,14-17H,3-4,11-13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine?
3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]naphthalen-2-yl]pyridine is sourced from PubChem (CID 52917739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).