5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C22H19ClN2O4 — CID 19116240

About 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116240) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• PubChem CID: 19116240
• Molecular Formula: C22H19ClN2O4
• Molecular Weight: 410.86 g/mol
• Exact Mass: 410.10
• IUPAC Name: 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
• SMILES: Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n(C2CCCC2)c(=O)c1C#N
• InChI: InChI=1S/C22H19ClN2O4/c1-11-16(10-24)21(27)25(14-5-3-4-6-14)22(28)18(11)19(26)20-12(2)15-9-13(23)7-8-17(15)29-20/h7-9,14,28H,3-6H2,1-2H3
• InChIKey: AYLPOAASDGSQOQ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 96.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.86
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The IUPAC name of 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116240) is 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c(O)n(C2CCCC2)c(=O)c1C#N.

What is the InChIKey of 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

The InChIKey is AYLPOAASDGSQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-11-16(10-24)21(27)25(14-5-3-4-6-14)22(28)18(11)19(26)20-12(2)15-9-13(23)7-8-17(15)29-20/h7-9,14,28H,3-6H2,1-2H3.

What are the key properties of 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?

5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 410.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).