N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide

C26H24N4O5S — CID 53494791

About N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 53494791) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
• PubChem CID: 53494791
• Molecular Formula: C26H24N4O5S
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.15
• IUPAC Name: N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide
• SMILES: COc1ccccc1/C=C1\SC(c2ccccc2OC)N(NC(=O)CNC(=O)c2ccncc2)C1=O
• InChI: InChI=1S/C26H24N4O5S/c1-34-20-9-5-3-7-18(20)15-22-25(33)30(26(36-22)19-8-4-6-10-21(19)35-2)29-23(31)16-28-24(32)17-11-13-27-14-12-17/h3-15,26H,16H2,1-2H3,(H,28,32)(H,29,31)/b22-15-
• InChIKey: RBFNIUXPHNUCFM-JCMHNJIXSA-N
• XLogP: 3.18
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide (CID 53494791) is N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide is COc1ccccc1/C=C1\SC(c2ccccc2OC)N(NC(=O)CNC(=O)c2ccncc2)C1=O.

What is the InChIKey of N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide?

The InChIKey is RBFNIUXPHNUCFM-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-34-20-9-5-3-7-18(20)15-22-25(33)30(26(36-22)19-8-4-6-10-21(19)35-2)29-23(31)16-28-24(32)17-11-13-27-14-12-17/h3-15,26H,16H2,1-2H3,(H,28,32)(H,29,31)/b22-15-.

What are the key properties of N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide?

N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(5Z)-2-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 53494791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).