1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C24H23N7O3S2 — CID 30364674

About 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 30364674) has the molecular formula C24H23N7O3S2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
• PubChem CID: 30364674
• Molecular Formula: C24H23N7O3S2
• Molecular Weight: 521.63 g/mol
• Exact Mass: 521.13
• IUPAC Name: 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
• InChI: InChI=1S/C24H23N7O3S2/c32-23(27-19-1-3-20(4-2-19)36(33,34)30-24-26-13-16-35-24)18-9-14-31(15-10-18)22-6-5-21(28-29-22)17-7-11-25-12-8-17/h1-8,11-13,16,18H,9-10,14-15H2,(H,26,30)(H,27,32)
• InChIKey: COBYCGSPYHTIAI-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 130.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.63
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 30364674) is 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(c2ccc(-c3ccncc3)nn2)CC1.

What is the InChIKey of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The InChIKey is COBYCGSPYHTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S2/c32-23(27-19-1-3-20(4-2-19)36(33,34)30-24-26-13-16-35-24)18-9-14-31(15-10-18)22-6-5-21(28-29-22)17-7-11-25-12-8-17/h1-8,11-13,16,18H,9-10,14-15H2,(H,26,30)(H,27,32).

What are the key properties of 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 521.63 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30364674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).