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

C18H18N2O — CID 71569952

IUPAC3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESCN1CC[C@H]1COc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-20-10-9-17(20)14-21-18-11-16(12-19-13-18)8-7-15-5-3-2-4-6-15/h2-6,11-13,17H,9-10,14H2,1H3/t17-/m0/s1
InChIKeyHCZDWLWWAVVIPY-KRWDZBQOSA-N
MW278.36 g/mol
LogP2.56
Rot. Bonds3

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

3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (PubChem CID 71569952) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
PubChem CID71569952
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
SMILESCN1CC[C@H]1COc1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C18H18N2O/c1-20-10-9-17(20)14-21-18-11-16(12-19-13-18)8-7-15-5-3-2-4-6-15/h2-6,11-13,17H,9-10,14H2,1H3/t17-/m0/s1
InChIKeyHCZDWLWWAVVIPY-KRWDZBQOSA-N
XLogP2.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.56
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-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The IUPAC name of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine (CID 71569952) is 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The canonical SMILES for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine is CN1CC[C@H]1COc1cncc(C#Cc2ccccc2)c1.
What is the InChIKey of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
The InChIKey is HCZDWLWWAVVIPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-10-9-17(20)14-21-18-11-16(12-19-13-18)8-7-15-5-3-2-4-6-15/h2-6,11-13,17H,9-10,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine?
3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine has a molecular weight of 278.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine is sourced from PubChem (CID 71569952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).