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

C23H27N3O4 — CID 168586161

IUPAC2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-3-29-21-12-16(18-11-15(2)25-23(28)19(18)13-24)9-10-20(21)30-14-22(27)26-17-7-5-4-6-8-17/h9-12,17H,3-8,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCDSIYMDCCMAXJR-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.45
Rot. Bonds7

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

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 168586161) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
PubChem CID168586161
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
SMILESCCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-3-29-21-12-16(18-11-15(2)25-23(28)19(18)13-24)9-10-20(21)30-14-22(27)26-17-7-5-4-6-8-17/h9-12,17H,3-8,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCDSIYMDCCMAXJR-UHFFFAOYSA-N
XLogP3.45
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 168586168
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
CID 169395212
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 2-chlorobenzoate
CID 168586600
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586865
4-[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586476
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
CID 168586158
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
CID 168586167
4-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586475

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide (CID 168586161) is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide is CCOc1cc(-c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is CDSIYMDCCMAXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-29-21-12-16(18-11-15(2)25-23(28)19(18)13-24)9-10-20(21)30-14-22(27)26-17-7-5-4-6-8-17/h9-12,17H,3-8,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide?
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 409.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 168586161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).