3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine

C15H22N2O — CID 59371604

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
SMILESCCC[C@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H22N2O/c1-2-3-11-7-15(11)12-6-14(9-16-8-12)18-10-13-4-5-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15+/m0/s1
InChIKeyCAKCBUHCAZGCHN-CORIIIEPSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds6

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine (PubChem CID 59371604) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
PubChem CID59371604
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
SMILESCCC[C@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H22N2O/c1-2-3-11-7-15(11)12-6-14(9-16-8-12)18-10-13-4-5-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15+/m0/s1
InChIKeyCAKCBUHCAZGCHN-CORIIIEPSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine (CID 59371604) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine is CCC[C@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine?
The InChIKey is CAKCBUHCAZGCHN-CORIIIEPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-11-7-15(11)12-6-14(9-16-8-12)18-10-13-4-5-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15+/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine has a molecular weight of 246.35 g/mol, XLogP of 2.73, 6 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-[(1R,2S)-2-propylcyclopropyl]pyridine is sourced from PubChem (CID 59371604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).