5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C17H27N3O3 — CID 54236193

IUPAC5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCOc1cnc(OC[C@@H]2CCN2C)c(OC[C@@H]2CCN2C)c1
InChIInChI=1S/C17H27N3O3/c1-4-21-15-9-16(22-11-13-5-7-19(13)2)17(18-10-15)23-12-14-6-8-20(14)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyQMSXQNSKVYGSEJ-KBPBESRZSA-N
MW321.42 g/mol
LogP1.65
Rot. Bonds8

About 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 54236193) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID54236193
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCOc1cnc(OC[C@@H]2CCN2C)c(OC[C@@H]2CCN2C)c1
InChIInChI=1S/C17H27N3O3/c1-4-21-15-9-16(22-11-13-5-7-19(13)2)17(18-10-15)23-12-14-6-8-20(14)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyQMSXQNSKVYGSEJ-KBPBESRZSA-N
XLogP1.65
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 54236193) is 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CCOc1cnc(OC[C@@H]2CCN2C)c(OC[C@@H]2CCN2C)c1.
What is the InChIKey of 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is QMSXQNSKVYGSEJ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-21-15-9-16(22-11-13-5-7-19(13)2)17(18-10-15)23-12-14-6-8-20(14)3/h9-10,13-14H,4-8,11-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 321.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54236193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).