3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine

C19H20N2O — CID 10039999

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
InChIKeyFVKMUNYZQFUOQQ-SFHVURJKSA-N
MW292.38 g/mol
LogP2.95
Rot. Bonds3

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (PubChem CID 10039999) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
PubChem CID10039999
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
InChIKeyFVKMUNYZQFUOQQ-SFHVURJKSA-N
XLogP2.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (CID 10039999) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine is CN1CCC[C@H]1COc1cncc(C#Cc2ccccc2)c1.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The InChIKey is FVKMUNYZQFUOQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine has a molecular weight of 292.38 g/mol, XLogP of 2.95, 3 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-(2-phenylethynyl)pyridine is sourced from PubChem (CID 10039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).