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

C23H18BrN5O5 — CID 169395075

IUPAC2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1OC
InChIInChI=1S/C23H18BrN5O5/c1-32-17-6-4-3-5-16(17)28-20(30)11-34-19-8-15(24)12(7-18(19)33-2)21-13(9-25)22(27)29-23(31)14(21)10-26/h3-8H,11H2,1-2H3,(H,28,30)(H3,27,29,31)
InChIKeyMVAYGUBKJWFBBP-UHFFFAOYSA-N
MW524.33 g/mol
LogP3.16
Rot. Bonds7

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

2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 169395075) has the molecular formula C23H18BrN5O5 and a molecular weight of 524.33 g/mol. Its IUPAC name is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID169395075
Molecular FormulaC23H18BrN5O5
Molecular Weight524.33 g/mol
Exact Mass523.05
IUPAC Name2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1OC
InChIInChI=1S/C23H18BrN5O5/c1-32-17-6-4-3-5-16(17)28-20(30)11-34-19-8-15(24)12(7-18(19)33-2)21-13(9-25)22(27)29-23(31)14(21)10-26/h3-8H,11H2,1-2H3,(H,28,30)(H3,27,29,31)
InChIKeyMVAYGUBKJWFBBP-UHFFFAOYSA-N
XLogP3.16
TPSA163.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393111
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 169395195
2-amino-4-[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407104
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]-N-(4-methylphenyl)acetamide
CID 169395130
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168586301
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] acetate
CID 169395905
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-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide (CID 169395075) is 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1OC.
What is the InChIKey of 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MVAYGUBKJWFBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O5/c1-32-17-6-4-3-5-16(17)28-20(30)11-34-19-8-15(24)12(7-18(19)33-2)21-13(9-25)22(27)29-23(31)14(21)10-26/h3-8H,11H2,1-2H3,(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)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 524.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 169395075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).