5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C24H21FN2O4 — CID 19117783

About 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117783) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19117783
• Molecular Formula: C24H21FN2O4
• Molecular Weight: 420.44 g/mol
• Exact Mass: 420.15
• IUPAC Name: 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: Cc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O
• InChI: InChI=1S/C24H21FN2O4/c1-14-5-4-6-15(2)22(14)31-13-20(28)21-16(3)19(11-26)23(29)27(24(21)30)12-17-7-9-18(25)10-8-17/h4-10,30H,12-13H2,1-3H3
• InChIKey: VGSJBGVQMGFIII-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.44
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117783) is 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O.

What is the InChIKey of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is VGSJBGVQMGFIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-14-5-4-6-15(2)22(14)31-13-20(28)21-16(3)19(11-26)23(29)27(24(21)30)12-17-7-9-18(25)10-8-17/h4-10,30H,12-13H2,1-3H3.

What are the key properties of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 420.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).