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

C23H18ClN5O4 — CID 169395195

IUPAC2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN5O4/c1-2-32-19-9-13(21-14(10-25)22(27)29-23(31)15(21)11-26)7-8-18(19)33-12-20(30)28-17-6-4-3-5-16(17)24/h3-9H,2,12H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyDZNFZPJOLDWRSS-UHFFFAOYSA-N
MW463.88 g/mol
LogP3.44
Rot. Bonds7

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

2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 169395195) has the molecular formula C23H18ClN5O4 and a molecular weight of 463.88 g/mol. Its IUPAC name is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID169395195
Molecular FormulaC23H18ClN5O4
Molecular Weight463.88 g/mol
Exact Mass463.10
IUPAC Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
SMILESCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN5O4/c1-2-32-19-9-13(21-14(10-25)22(27)29-23(31)15(21)11-26)7-8-18(19)33-12-20(30)28-17-6-4-3-5-16(17)24/h3-9H,2,12H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyDZNFZPJOLDWRSS-UHFFFAOYSA-N
XLogP3.44
TPSA154.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.88
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenyl] 4-chlorobenzoate
CID 169394805
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-[3-ethoxy-4-[2-(2-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407179
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 169395075
2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 169397039
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-bromo-6-ethoxyphenoxy]-N-cyclohexylacetamide
CID 169395212
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxy-6-iodophenyl] benzoate
CID 169395105
2-amino-4-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407000
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-4-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394824
2-amino-4-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406033

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (CID 169395195) is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is CCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is DZNFZPJOLDWRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O4/c1-2-32-19-9-13(21-14(10-25)22(27)29-23(31)15(21)11-26)7-8-18(19)33-12-20(30)28-17-6-4-3-5-16(17)24/h3-9H,2,12H2,1H3,(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-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 463.88 g/mol, XLogP of 3.44, 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-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 169395195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).