6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide

C90H87Cl4N17O9S2 — CID 159698470

About 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide (PubChem CID 159698470) has the molecular formula C90H87Cl4N17O9S2 and a molecular weight of 1756.74 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
• PubChem CID: 159698470
• Molecular Formula: C90H87Cl4N17O9S2
• Molecular Weight: 1756.74 g/mol
• Exact Mass: 1753.51
• IUPAC Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1
• InChI: InChI=1S/C23H21ClN6O.C23H22ClN5O2.2C22H22ClN3O3S/c24-20-7-6-18(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;2*1-2-3-14-25-30(28,29)18-10-7-16(8-11-18)22(27)26-17-9-12-20(23)19(15-17)21-6-4-5-13-24-21/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);2*4-13,15,25H,2-3,14H2,1H3,(H,26,27)
• InChIKey: MXHXQPGDPZWGTH-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 339.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.74
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide (CID 159698470) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?

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

What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?

The InChIKey is MXHXQPGDPZWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.C23H22ClN5O2.2C22H22ClN3O3S/c24-20-7-6-18(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;2*1-2-3-14-25-30(28,29)18-10-7-16(8-11-18)22(27)26-17-9-12-20(23)19(15-17)21-6-4-5-13-24-21/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);2*4-13,15,25H,2-3,14H2,1H3,(H,26,27).

What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide has a molecular weight of 1756.74 g/mol, XLogP of 17.93, 28 rotatable bonds, 7 hydrogen bond donors, and 19 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;bis(4-(butylsulfamoyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide);N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 159698470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).