5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C23H22N2O5 — CID 19116621

About 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116621) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19116621
• Molecular Formula: C23H22N2O5
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.15
• IUPAC Name: 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: CCc1ccc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccco3)c2O)cc1
• InChI: InChI=1S/C23H22N2O5/c1-4-16-7-9-17(10-8-16)30-15(3)21(26)20-14(2)19(12-24)22(27)25(23(20)28)13-18-6-5-11-29-18/h5-11,15,28H,4,13H2,1-3H3
• InChIKey: RANJTPKJFJTMFF-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 105.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116621) is 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCc1ccc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccco3)c2O)cc1.

What is the InChIKey of 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is RANJTPKJFJTMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-4-16-7-9-17(10-8-16)30-15(3)21(26)20-14(2)19(12-24)22(27)25(23(20)28)13-18-6-5-11-29-18/h5-11,15,28H,4,13H2,1-3H3.

What are the key properties of 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 406.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-ethylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).