5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide

C19H18FN3O5S — CID 87999710

About 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide

5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 87999710) has the molecular formula C19H18FN3O5S and a molecular weight of 419.43 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
• PubChem CID: 87999710
• Molecular Formula: C19H18FN3O5S
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.10
• IUPAC Name: 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
• SMILES: COc1nc(OC)c(C(=O)NCc2ccccc2F)cc1CC1SC(=O)NC1=O
• InChI: InChI=1S/C19H18FN3O5S/c1-27-17-11(8-14-16(25)22-19(26)29-14)7-12(18(23-17)28-2)15(24)21-9-10-5-3-4-6-13(10)20/h3-7,14H,8-9H2,1-2H3,(H,21,24)(H,22,25,26)
• InChIKey: UIRIFUFCGQVVBD-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 106.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?

The IUPAC name of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 87999710) is 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?

The canonical SMILES for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide is COc1nc(OC)c(C(=O)NCc2ccccc2F)cc1CC1SC(=O)NC1=O.

What is the InChIKey of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?

The InChIKey is UIRIFUFCGQVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O5S/c1-27-17-11(8-14-16(25)22-19(26)29-14)7-12(18(23-17)28-2)15(24)21-9-10-5-3-4-6-13(10)20/h3-7,14H,8-9H2,1-2H3,(H,21,24)(H,22,25,26).

What are the key properties of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?

5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 87999710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).