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

C25H25N3O5 — CID 168586168

IUPAC2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-c3cc(C)[nH]c(=O)c3C#N)cc2OCC)cc1
InChIInChI=1S/C25H25N3O5/c1-4-31-19-9-7-18(8-10-19)28-24(29)15-33-22-11-6-17(13-23(22)32-5-2)20-12-16(3)27-25(30)21(20)14-26/h6-13H,4-5,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFMCGHJUQSQHSRN-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.04
Rot. Bonds9

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

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide (PubChem CID 168586168) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
PubChem CID168586168
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-c3cc(C)[nH]c(=O)c3C#N)cc2OCC)cc1
InChIInChI=1S/C25H25N3O5/c1-4-31-19-9-7-18(8-10-19)28-24(29)15-33-22-11-6-17(13-23(22)32-5-2)20-12-16(3)27-25(30)21(20)14-26/h6-13H,4-5,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFMCGHJUQSQHSRN-UHFFFAOYSA-N
XLogP4.04
TPSA113.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168586161
2-[2-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-6-ethoxyphenoxy]-N-phenylacetamide
CID 168586173
2-[5-chloro-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-phenylacetamide
CID 168586167
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586244
2-[4-bromo-2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 168586237
4-(3-ethoxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584806
2-[2-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-phenylacetamide
CID 168586245
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586858
propan-2-yl 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetate
CID 168586158
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 2-chlorobenzoate
CID 168586600
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide (CID 168586168) is 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COc2ccc(-c3cc(C)[nH]c(=O)c3C#N)cc2OCC)cc1.
What is the InChIKey of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is FMCGHJUQSQHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-4-31-19-9-7-18(8-10-19)28-24(29)15-33-22-11-6-17(13-23(22)32-5-2)20-12-16(3)27-25(30)21(20)14-26/h6-13H,4-5,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide?
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 447.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 168586168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).