2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide

C23H24BrN5O4 — CID 169395212

IUPAC2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H24BrN5O4/c1-2-32-18-9-13(20-15(10-25)22(27)29-23(31)16(20)11-26)8-17(24)21(18)33-12-19(30)28-14-6-4-3-5-7-14/h8-9,14H,2-7,12H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyAITRKXZVDPQWND-UHFFFAOYSA-N
MW514.38 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide

2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 169395212) has the molecular formula C23H24BrN5O4 and a molecular weight of 514.38 g/mol. Its IUPAC name is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
PubChem CID169395212
Molecular FormulaC23H24BrN5O4
Molecular Weight514.38 g/mol
Exact Mass513.10
IUPAC Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H24BrN5O4/c1-2-32-18-9-13(20-15(10-25)22(27)29-23(31)16(20)11-26)8-17(24)21(18)33-12-19(30)28-14-6-4-3-5-7-14/h8-9,14H,2-7,12H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyAITRKXZVDPQWND-UHFFFAOYSA-N
XLogP3.36
TPSA154.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395044
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168586161
methyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2,3-dibromo-6-ethoxyphenoxy]acetate
CID 169395159
2-amino-4-(3-ethoxy-5-iodo-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395101
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 169395195
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxy-6-iodophenyl] benzoate
CID 169395105
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide
CID 75534322
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-[2-bromo-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-6-ethoxyphenoxy]-N-cyclohexylacetamide
CID 168599243
2-amino-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394421
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide (CID 169395212) is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide is CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc(Br)c1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is AITRKXZVDPQWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O4/c1-2-32-18-9-13(20-15(10-25)22(27)29-23(31)16(20)11-26)8-17(24)21(18)33-12-19(30)28-14-6-4-3-5-7-14/h8-9,14H,2-7,12H2,1H3,(H,28,30)(H3,27,29,31).
What are the key properties of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide?
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 514.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 169395212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).