2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C26H29N7O4S — CID 70918639

About 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 70918639) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 70918639
• Molecular Formula: C26H29N7O4S
• Molecular Weight: 535.63 g/mol
• Exact Mass: 535.20
• IUPAC Name: 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN(C)c3cccc(OC)c3)n2)c(=O)n1CC
• InChI: InChI=1S/C26H29N7O4S/c1-5-28-24(35)19(14-27)26-33(6-2)25(36)20(38-26)15-29-21-11-8-12-22(30-21)31-23(34)16-32(3)17-9-7-10-18(13-17)37-4/h7-13,15H,5-6,16H2,1-4H3,(H,28,35)(H2,29,30,31,34)
• InChIKey: WGQMIBGSMZKHFF-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 141.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.63
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 70918639) is 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=CNc2cccc(NC(=O)CN(C)c3cccc(OC)c3)n2)c(=O)n1CC.

What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is WGQMIBGSMZKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c1-5-28-24(35)19(14-27)26-33(6-2)25(36)20(38-26)15-29-21-11-8-12-22(30-21)31-23(34)16-32(3)17-9-7-10-18(13-17)37-4/h7-13,15H,5-6,16H2,1-4H3,(H,28,35)(H2,29,30,31,34).

What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?

2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 535.63 g/mol, XLogP of 1.07, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-ethyl-2-[3-ethyl-5-[[[6-[[2-(3-methoxy-N-methylanilino)acetyl]amino]-2-pyridinyl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 70918639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).