5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile

C26H25FN2O5 — CID 19118090

About 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile

5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19118090) has the molecular formula C26H25FN2O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19118090
• Molecular Formula: C26H25FN2O5
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.17
• IUPAC Name: 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: CCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CCc2ccc(OC)cc2)c1O
• InChI: InChI=1S/C26H25FN2O5/c1-4-21(34-22-8-6-5-7-20(22)27)24(30)23-16(2)19(15-28)25(31)29(26(23)32)14-13-17-9-11-18(33-3)12-10-17/h5-12,21,32H,4,13-14H2,1-3H3
• InChIKey: ZSLQGRZYVQBEMQ-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 101.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19118090) is 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile is CCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CCc2ccc(OC)cc2)c1O.

What is the InChIKey of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is ZSLQGRZYVQBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O5/c1-4-21(34-22-8-6-5-7-20(22)27)24(30)23-16(2)19(15-28)25(31)29(26(23)32)14-13-17-9-11-18(33-3)12-10-17/h5-12,21,32H,4,13-14H2,1-3H3.

What are the key properties of 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?

5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 464.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).