ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate

C21H20N2O3 — CID 135235779

IUPACethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ncccc2-c2cnccc2CC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-15-11-13-22-14-19(15)18-6-5-12-23-20(18)26-17-9-7-16(8-10-17)21(24)25-4-2/h5-14H,3-4H2,1-2H3
InChIKeyMWKQGXUZXJSIKH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.68
Rot. Bonds6

About ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate

ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate (PubChem CID 135235779) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate
PubChem CID135235779
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ncccc2-c2cnccc2CC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-15-11-13-22-14-19(15)18-6-5-12-23-20(18)26-17-9-7-16(8-10-17)21(24)25-4-2/h5-14H,3-4H2,1-2H3
InChIKeyMWKQGXUZXJSIKH-UHFFFAOYSA-N
XLogP4.68
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]benzoate
CID 140963794
ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
CID 141300401
N-butyl-5-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]-N-methylpyrimidin-2-amine
CID 135246759
3-[2-(4-ethoxycarbonylphenoxy)-3-pyridinyl]azetidine-1-carboxylic acid
CID 68595475
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 135246990
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol
CID 135235744
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
ethyl 4-(3-hydroxy-4-pyridinyl)benzoate
CID 58941031
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
CID 65019360

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate (CID 135235779) is ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate is CCOC(=O)c1ccc(Oc2ncccc2-c2cnccc2CC)cc1.
What is the InChIKey of ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is MWKQGXUZXJSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-15-11-13-22-14-19(15)18-6-5-12-23-20(18)26-17-9-7-16(8-10-17)21(24)25-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate?
ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 348.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(4-ethyl-3-pyridinyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 135235779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).