3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine

C15H18N2O — CID 71584828

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine
SMILESCc1ncc(C#CC2CC2)cc1OC[C@@H]1CCN1
InChIInChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
InChIKeySPTQZFUOJBUHQA-AWEZNQCLSA-N
MW242.32 g/mol
LogP1.89
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine (PubChem CID 71584828) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine
PubChem CID71584828
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine
SMILESCc1ncc(C#CC2CC2)cc1OC[C@@H]1CCN1
InChIInChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1
InChIKeySPTQZFUOJBUHQA-AWEZNQCLSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
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)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine (CID 71584828) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine is Cc1ncc(C#CC2CC2)cc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine?
The InChIKey is SPTQZFUOJBUHQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3/t14-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine has a molecular weight of 242.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-cyclopropylethynyl)-2-methylpyridine is sourced from PubChem (CID 71584828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).