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

C23H26N2O4 — CID 19116219

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

1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile (PubChem CID 19116219) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
• PubChem CID: 19116219
• Molecular Formula: C23H26N2O4
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.19
• IUPAC Name: 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
• SMILES: Cc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n(C2CCCC2)c(=O)c1C#N
• InChI: InChI=1S/C23H26N2O4/c1-14(2)16-8-10-18(11-9-16)29-13-20(26)21-15(3)19(12-24)22(27)25(23(21)28)17-6-4-5-7-17/h8-11,14,17,28H,4-7,13H2,1-3H3
• InChIKey: UKBDEJTUVVGCNE-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile (CID 19116219) is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile.

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

The canonical SMILES for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile is Cc1c(C(=O)COc2ccc(C(C)C)cc2)c(O)n(C2CCCC2)c(=O)c1C#N.

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

The InChIKey is UKBDEJTUVVGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)16-8-10-18(11-9-16)29-13-20(26)21-15(3)19(12-24)22(27)25(23(21)28)17-6-4-5-7-17/h8-11,14,17,28H,4-7,13H2,1-3H3.

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

1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile has a molecular weight of 394.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile is sourced from PubChem (CID 19116219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).