2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide

C24H22BrN3O4 — CID 168586301

About 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide

2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 168586301) has the molecular formula C24H22BrN3O4 and a molecular weight of 496.36 g/mol. Its IUPAC name is 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
• PubChem CID: 168586301
• Molecular Formula: C24H22BrN3O4
• Molecular Weight: 496.36 g/mol
• Exact Mass: 495.08
• IUPAC Name: 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
• SMILES: COc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Br)cc1OCC(=O)NCCc1ccccc1
• InChI: InChI=1S/C24H22BrN3O4/c1-15-10-17(19(13-26)24(30)28-15)18-11-21(31-2)22(12-20(18)25)32-14-23(29)27-9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,14H2,1-2H3,(H,27,29)(H,28,30)
• InChIKey: RHAHTXSPPZHBFL-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 104.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.36
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide (CID 168586301) is 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide is COc1cc(-c2cc(C)[nH]c(=O)c2C#N)c(Br)cc1OCC(=O)NCCc1ccccc1.

What is the InChIKey of 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?

The InChIKey is RHAHTXSPPZHBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O4/c1-15-10-17(19(13-26)24(30)28-15)18-11-21(31-2)22(12-20(18)25)32-14-23(29)27-9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,14H2,1-2H3,(H,27,29)(H,28,30).

What are the key properties of 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide?

2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 496.36 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 168586301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).