2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide

C22H22N8OS — CID 138590328

About 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138590328) has the molecular formula C22H22N8OS and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
• PubChem CID: 138590328
• Molecular Formula: C22H22N8OS
• Molecular Weight: 446.54 g/mol
• Exact Mass: 446.16
• IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
• SMILES: Cc1nnc(-c2ccc3nnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1
• InChI: InChI=1S/C22H22N8OS/c1-14-25-28-22(32-14)16-3-4-18-17(11-16)12-19(27-26-18)24-21(31)15-5-6-23-20(13-15)30-9-7-29(2)8-10-30/h3-6,11-13H,7-10H2,1-2H3,(H,24,27,31)
• InChIKey: AYCTZFOJTPELGG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.54
LogP ≤ 5	2.86
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-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138590328) is 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-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-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide is Cc1nnc(-c2ccc3nnc(NC(=O)c4ccnc(N5CCN(C)CC5)c4)cc3c2)s1.

What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

The InChIKey is AYCTZFOJTPELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8OS/c1-14-25-28-22(32-14)16-3-4-18-17(11-16)12-19(27-26-18)24-21(31)15-5-6-23-20(13-15)30-9-7-29(2)8-10-30/h3-6,11-13H,7-10H2,1-2H3,(H,24,27,31).

What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide?

2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.86, 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-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138590328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).