3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine

C21H22N2O — CID 10426041

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O/c1-23-11-5-8-18(23)15-24-19-12-17(13-22-14-19)21-10-4-7-16-6-2-3-9-20(16)21/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
InChIKeyHRNKRCYABCNHOP-SFHVURJKSA-N
MW318.42 g/mol
LogP4.37
Rot. Bonds4

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine (PubChem CID 10426041) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine
PubChem CID10426041
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine
SMILESCN1CCC[C@H]1COc1cncc(-c2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O/c1-23-11-5-8-18(23)15-24-19-12-17(13-22-14-19)21-10-4-7-16-6-2-3-9-20(16)21/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
InChIKeyHRNKRCYABCNHOP-SFHVURJKSA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine (CID 10426041) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine is CN1CCC[C@H]1COc1cncc(-c2cccc3ccccc23)c1.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine?
The InChIKey is HRNKRCYABCNHOP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O/c1-23-11-5-8-18(23)15-24-19-12-17(13-22-14-19)21-10-4-7-16-6-2-3-9-20(16)21/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine has a molecular weight of 318.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-naphthalen-1-ylpyridine is sourced from PubChem (CID 10426041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).