6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide

C92H88Cl4N18O12S3 — CID 159034429

About 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide (PubChem CID 159034429) has the molecular formula C92H88Cl4N18O12S3 and a molecular weight of 1875.84 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide.

Molecular Properties

• Compound Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
• PubChem CID: 159034429
• Molecular Formula: C92H88Cl4N18O12S3
• Molecular Weight: 1875.84 g/mol
• Exact Mass: 1872.47
• IUPAC Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
• InChI: InChI=1S/C25H25ClN4O4S.C23H21ClN6O.C23H22ClN5O2.C21H20ClN3O5S2/c26-22-12-9-19(17-21(22)23-5-1-2-13-27-23)29-25(32)18-7-10-20(11-8-18)35(33,34)28-14-4-16-30-15-3-6-24(30)31;24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30;1-16(30)28-10-12-29(13-11-28)22-8-5-17(15-26-22)23(31)27-18-6-7-20(24)19(14-18)21-4-2-3-9-25-21;1-31(27,28)13-12-24-32(29,30)17-8-5-15(6-9-17)21(26)25-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20/h1-2,5,7-13,17,28H,3-4,6,14-16H2,(H,29,32);1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);2-11,14,24H,12-13H2,1H3,(H,25,26)
• InChIKey: JVHALJDZIQVELB-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 393.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.84
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?

The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide (CID 159034429) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide.

What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?

The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1.

What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?

The InChIKey is JVHALJDZIQVELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4S.C23H21ClN6O.C23H22ClN5O2.C21H20ClN3O5S2/c26-22-12-9-19(17-21(22)23-5-1-2-13-27-23)29-25(32)18-7-10-20(11-8-18)35(33,34)28-14-4-16-30-15-3-6-24(30)31;24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30;1-16(30)28-10-12-29(13-11-28)22-8-5-17(15-26-22)23(31)27-18-6-7-20(24)19(14-18)21-4-2-3-9-25-21;1-31(27,28)13-12-24-32(29,30)17-8-5-15(6-9-17)21(26)25-16-7-10-19(22)18(14-16)20-4-2-3-11-23-20/h1-2,5,7-13,17,28H,3-4,6,14-16H2,(H,29,32);1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);2-11,14,24H,12-13H2,1H3,(H,25,26).

What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide has a molecular weight of 1875.84 g/mol, XLogP of 15.39, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 159034429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).