6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

C137H117Cl10F2N25O13S — CID 158908290

About 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 158908290) has the molecular formula C137H117Cl10F2N25O13S and a molecular weight of 2746.20 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 158908290
• Molecular Formula: C137H117Cl10F2N25O13S
• Molecular Weight: 2746.20 g/mol
• Exact Mass: 2739.58
• IUPAC Name: 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccnc4)c3)cn2)CC1.C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)C[C@H](C)N1.Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1.O=C(Nc1cc(NC(=O)c2csc(-c3ccccc3)n2)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2F)c1)c1ccc(Cl)nc1
• InChI: InChI=1S/C26H27Cl2N5O2.C25H25ClFN5O2.C24H23ClN6O3.C23H16ClN3O2S.C20H14Cl3N3O2.C19H12Cl2FN3O2/c1-16-13-33(14-17(2)30-16)15-22-7-6-19(12-29-22)26(35)31-21-8-9-23(28)24(11-21)32-25(34)18-4-3-5-20(27)10-18;1-15-13-32(14-16(2)29-15)23-10-7-17(12-28-23)24(33)30-18-8-9-20(26)22(11-18)31-25(34)19-5-3-4-6-21(19)27;1-16(32)30-9-11-31(12-10-30)22-7-4-18(15-27-22)23(33)28-19-5-6-20(25)21(13-19)29-24(34)17-3-2-8-26-14-17;24-18-12-11-17(13-19(18)26-21(28)15-7-3-1-4-8-15)25-22(29)20-14-30-23(27-20)16-9-5-2-6-10-16;1-11-15(6-8-18(23)24-11)20(28)25-14-5-7-16(22)17(10-14)26-19(27)12-3-2-4-13(21)9-12;20-14-7-6-12(24-18(26)11-5-8-17(21)23-10-11)9-16(14)25-19(27)13-3-1-2-4-15(13)22/h3-12,16-17,30H,13-15H2,1-2H3,(H,31,35)(H,32,34);3-12,15-16,29H,13-14H2,1-2H3,(H,30,33)(H,31,34);2-8,13-15H,9-12H2,1H3,(H,28,33)(H,29,34);1-14H,(H,25,29)(H,26,28);2-10H,1H3,(H,25,28)(H,26,27);1-10H,(H,24,26)(H,25,27)/t16-,17+;15-,16+
• InChIKey: JGIAMZQJOYTLON-FLNJTJRISA-N
• XLogP: 29.80
• TPSA: 493.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2746.20
LogP ≤ 5	29.80
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (CID 158908290) is 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccnc4)c3)cn2)CC1.C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)C[C@H](C)N1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)C[C@H](C)N1.Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1.O=C(Nc1cc(NC(=O)c2csc(-c3ccccc3)n2)ccc1Cl)c1ccccc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2F)c1)c1ccc(Cl)nc1.

What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is JGIAMZQJOYTLON-FLNJTJRISA-N. The full InChI is InChI=1S/C26H27Cl2N5O2.C25H25ClFN5O2.C24H23ClN6O3.C23H16ClN3O2S.C20H14Cl3N3O2.C19H12Cl2FN3O2/c1-16-13-33(14-17(2)30-16)15-22-7-6-19(12-29-22)26(35)31-21-8-9-23(28)24(11-21)32-25(34)18-4-3-5-20(27)10-18;1-15-13-32(14-16(2)29-15)23-10-7-17(12-28-23)24(33)30-18-8-9-20(26)22(11-18)31-25(34)19-5-3-4-6-21(19)27;1-16(32)30-9-11-31(12-10-30)22-7-4-18(15-27-22)23(33)28-19-5-6-20(25)21(13-19)29-24(34)17-3-2-8-26-14-17;24-18-12-11-17(13-19(18)26-21(28)15-7-3-1-4-8-15)25-22(29)20-14-30-23(27-20)16-9-5-2-6-10-16;1-11-15(6-8-18(23)24-11)20(28)25-14-5-7-16(22)17(10-14)26-19(27)12-3-2-4-13(21)9-12;20-14-7-6-12(24-18(26)11-5-8-17(21)23-10-11)9-16(14)25-19(27)13-3-1-2-4-15(13)22/h3-12,16-17,30H,13-15H2,1-2H3,(H,31,35)(H,32,34);3-12,15-16,29H,13-14H2,1-2H3,(H,30,33)(H,31,34);2-8,13-15H,9-12H2,1H3,(H,28,33)(H,29,34);1-14H,(H,25,29)(H,26,28);2-10H,1H3,(H,25,28)(H,26,27);1-10H,(H,24,26)(H,25,27)/t16-,17+;15-,16+;;;;.

What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?

6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 2746.20 g/mol, XLogP of 29.80, 29 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide;N-(3-benzamido-4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methylpyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158908290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).