2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide

C23H20ClN3O4 — CID 168586167

IUPAC2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H20ClN3O4/c1-3-30-20-10-17(16-9-14(2)26-23(29)18(16)12-25)19(24)11-21(20)31-13-22(28)27-15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUINHILCPICHYJY-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.29
Rot. Bonds7

About 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide

2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 168586167) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID168586167
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H20ClN3O4/c1-3-30-20-10-17(16-9-14(2)26-23(29)18(16)12-25)19(24)11-21(20)31-13-22(28)27-15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUINHILCPICHYJY-UHFFFAOYSA-N
XLogP4.29
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586212
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
CID 168586245
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586244
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168
2-[4-bromo-2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586237
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 2-chlorobenzoate
CID 168586600
2-[2-chloro-4-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168589154
4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586305
2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 2986839
2-[5-chloro-4-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168589193
2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586301

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide (CID 168586167) is 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is UINHILCPICHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-3-30-20-10-17(16-9-14(2)26-23(29)18(16)12-25)19(24)11-21(20)31-13-22(28)27-15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide?
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 437.88 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 168586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).