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

C25H24ClN3O4 — CID 168586212

IUPAC2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C25H24ClN3O4/c1-3-32-22-12-19(18-11-16(2)29-25(31)20(18)14-27)21(26)13-23(22)33-15-24(30)28-10-9-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZSCOERMXDGNNQE-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.01
Rot. Bonds9

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

2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 168586212) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
PubChem CID168586212
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC Name2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)NCCc1ccccc1
InChIInChI=1S/C25H24ClN3O4/c1-3-32-22-12-19(18-11-16(2)29-25(31)20(18)14-27)21(26)13-23(22)33-15-24(30)28-10-9-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyZSCOERMXDGNNQE-UHFFFAOYSA-N
XLogP4.01
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
CID 168586167
2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586301
2-[5-chloro-4-(5-cyano-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168589193
2-[5-chloro-4-[[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168572489
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586305
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
CID 168586245
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 2-chlorobenzoate
CID 168586600
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-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168586161
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806

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-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide (CID 168586212) is 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide is CCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)cc1OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is ZSCOERMXDGNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-3-32-22-12-19(18-11-16(2)29-25(31)20(18)14-27)21(26)13-23(22)33-15-24(30)28-10-9-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide?
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 465.94 g/mol, XLogP of 4.01, 9 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 168586212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).