1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

C20H22N2O5 — CID 19115905

About 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115905) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19115905
• Molecular Formula: C20H22N2O5
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.15
• IUPAC Name: 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: CCC(C)n1c(O)c(C(=O)COc2ccc(OC)cc2)c(C)c(C#N)c1=O
• InChI: InChI=1S/C20H22N2O5/c1-5-12(2)22-19(24)16(10-21)13(3)18(20(22)25)17(23)11-27-15-8-6-14(26-4)7-9-15/h6-9,12,25H,5,11H2,1-4H3
• InChIKey: ZEMOTGOHPSDZKJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 101.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115905) is 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is CCC(C)n1c(O)c(C(=O)COc2ccc(OC)cc2)c(C)c(C#N)c1=O.

What is the InChIKey of 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is ZEMOTGOHPSDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-12(2)22-19(24)16(10-21)13(3)18(20(22)25)17(23)11-27-15-8-6-14(26-4)7-9-15/h6-9,12,25H,5,11H2,1-4H3.

What are the key properties of 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?

1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).