ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate

C22H18N2O4 — CID 2769133

IUPACethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-3-27-22(25)17-13-16(14-23)21(24-20(17)15-9-5-4-6-10-15)28-19-12-8-7-11-18(19)26-2/h4-13H,3H2,1-2H3
InChIKeyZIPQMFCKSSOUFP-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.60
Rot. Bonds6

About ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate

ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate (PubChem CID 2769133) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate
PubChem CID2769133
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Nameethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-3-27-22(25)17-13-16(14-23)21(24-20(17)15-9-5-4-6-10-15)28-19-12-8-7-11-18(19)26-2/h4-13H,3H2,1-2H3
InChIKeyZIPQMFCKSSOUFP-UHFFFAOYSA-N
XLogP4.60
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate (CID 2769133) is ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate?
The InChIKey is ZIPQMFCKSSOUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-3-27-22(25)17-13-16(14-23)21(24-20(17)15-9-5-4-6-10-15)28-19-12-8-7-11-18(19)26-2/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate?
ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-(2-methoxyphenoxy)-2-phenylpyridine-3-carboxylate is sourced from PubChem (CID 2769133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).