ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate

C20H18N2O3 — CID 139890718

IUPACethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2cccnc2)cc1-c1ccncc1
InChIInChI=1S/C20H18N2O3/c1-2-24-20(23)18-6-5-17(25-14-15-4-3-9-22-13-15)12-19(18)16-7-10-21-11-8-16/h3-13H,2,14H2,1H3
InChIKeyGWJMATHXDHJKAE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.90
Rot. Bonds6

About ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate

ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 139890718) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate
PubChem CID139890718
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2cccnc2)cc1-c1ccncc1
InChIInChI=1S/C20H18N2O3/c1-2-24-20(23)18-6-5-17(25-14-15-4-3-9-22-13-15)12-19(18)16-7-10-21-11-8-16/h3-13H,2,14H2,1H3
InChIKeyGWJMATHXDHJKAE-UHFFFAOYSA-N
XLogP3.90
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
2-amino-4-methylsulfanyl-2-[2-phenyl-4-(pyridin-3-ylmethoxy)benzoyl]butanoic acid
CID 23436113
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
diethyl 2-(pyridin-3-ylmethoxymethyl)pyridine-3,5-dicarboxylate
CID 163841784
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
ethyl 3-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 39471203
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate (CID 139890718) is ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate is CCOC(=O)c1ccc(OCc2cccnc2)cc1-c1ccncc1.
What is the InChIKey of ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is GWJMATHXDHJKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-24-20(23)18-6-5-17(25-14-15-4-3-9-22-13-15)12-19(18)16-7-10-21-11-8-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate?
ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 334.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-4-yl-4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 139890718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).