2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide

C21H20N8OS — CID 138588795

About 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138588795) has the molecular formula C21H20N8OS and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
• PubChem CID: 138588795
• Molecular Formula: C21H20N8OS
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.15
• IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
• SMILES: CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5nncs5)ccc4nn3)ccn2)CC1
• InChI: InChI=1S/C21H20N8OS/c1-28-6-8-29(9-7-28)19-12-14(4-5-22-19)20(30)24-18-11-16-10-15(21-27-23-13-31-21)2-3-17(16)25-26-18/h2-5,10-13H,6-9H2,1H3,(H,24,26,30)
• InChIKey: XBXYINVKOYNLPB-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138588795) is 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5nncs5)ccc4nn3)ccn2)CC1.

What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The InChIKey is XBXYINVKOYNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8OS/c1-28-6-8-29(9-7-28)19-12-14(4-5-22-19)20(30)24-18-11-16-10-15(21-27-23-13-31-21)2-3-17(16)25-26-18/h2-5,10-13H,6-9H2,1H3,(H,24,26,30).

What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).