6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

C22H26N2O4 — CID 19115818

About 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 19115818) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
• PubChem CID: 19115818
• Molecular Formula: C22H26N2O4
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.19
• IUPAC Name: 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
• SMILES: Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2O)c1
• InChI: InChI=1S/C22H26N2O4/c1-12(2)16-8-7-14(5)9-19(16)28-11-18(25)20-15(6)17(10-23)21(26)24(13(3)4)22(20)27/h7-9,12-13,27H,11H2,1-6H3
• InChIKey: YZTJSFNYHSAZMS-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?

The IUPAC name of 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 19115818) is 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

What is the SMILES notation for 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?

The canonical SMILES for 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is Cc1ccc(C(C)C)c(OCC(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2O)c1.

What is the InChIKey of 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?

The InChIKey is YZTJSFNYHSAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-12(2)16-8-7-14(5)9-19(16)28-11-18(25)20-15(6)17(10-23)21(26)24(13(3)4)22(20)27/h7-9,12-13,27H,11H2,1-6H3.

What are the key properties of 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?

6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 382.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-4-methyl-5-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 19115818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).