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

C20H21N3O6S — CID 20777451

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

N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 20777451) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide
• PubChem CID: 20777451
• Molecular Formula: C20H21N3O6S
• Molecular Weight: 431.47 g/mol
• Exact Mass: 431.12
• IUPAC Name: N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)NCc2cc(CC3SC(=O)NC3=O)ccc2OC)c(OC)n1
• InChI: InChI=1S/C20H21N3O6S/c1-27-14-6-4-11(9-15-18(25)23-20(26)30-15)8-12(14)10-21-17(24)13-5-7-16(28-2)22-19(13)29-3/h4-8,15H,9-10H2,1-3H3,(H,21,24)(H,23,25,26)
• InChIKey: UWDYWKVXJDZIJT-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 115.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.47
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 20777451) is N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide.

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

The canonical SMILES for N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2cc(CC3SC(=O)NC3=O)ccc2OC)c(OC)n1.

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

The InChIKey is UWDYWKVXJDZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-27-14-6-4-11(9-15-18(25)23-20(26)30-15)8-12(14)10-21-17(24)13-5-7-16(28-2)22-19(13)29-3/h4-8,15H,9-10H2,1-3H3,(H,21,24)(H,23,25,26).

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

N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 20777451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).