6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide

C89H75Cl6F3N18O7 — CID 158055107

About 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 158055107) has the molecular formula C89H75Cl6F3N18O7 and a molecular weight of 1778.41 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide
• PubChem CID: 158055107
• Molecular Formula: C89H75Cl6F3N18O7
• Molecular Weight: 1778.41 g/mol
• Exact Mass: 1774.41
• IUPAC Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.O=C(NCC(F)(F)F)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCNCC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCc2cnc[nH]2)nc1
• InChI: InChI=1S/C23H20Cl2N4O2.C23H22ClN5O2.C22H19ClN6O.C21H14Cl2F3N3O2/c24-19-7-5-16(14-18(19)21-3-1-2-8-27-21)28-22(30)17-6-4-15(13-20(17)25)23(31)29-11-9-26-10-12-29;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;23-19-6-5-16(11-18(19)20-3-1-2-9-25-20)29-22(30)15-4-7-21(27-12-15)26-10-8-17-13-24-14-28-17;22-16-7-5-13(10-15(16)18-3-1-2-8-27-18)29-20(31)14-6-4-12(9-17(14)23)19(30)28-11-21(24,25)26/h1-8,13-14,26H,9-12H2,(H,28,30);2-9,14-15H,10-13H2,1H3,(H,27,31);1-7,9,11-14H,8,10H2,(H,24,28)(H,26,27)(H,29,30);1-10H,11H2,(H,28,30)(H,29,31)
• InChIKey: FJYKKUWHTXFBIY-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 319.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1778.41
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide?

The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide (CID 158055107) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide?

The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)CC1.O=C(NCC(F)(F)F)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCNCC2)cc1Cl.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCc2cnc[nH]2)nc1.

What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide?

The InChIKey is FJYKKUWHTXFBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2.C23H22ClN5O2.C22H19ClN6O.C21H14Cl2F3N3O2/c24-19-7-5-16(14-18(19)21-3-1-2-8-27-21)28-22(30)17-6-4-15(13-20(17)25)23(31)29-11-9-26-10-12-29;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;23-19-6-5-16(11-18(19)20-3-1-2-9-25-20)29-22(30)15-4-7-21(27-12-15)26-10-8-17-13-24-14-28-17;22-16-7-5-13(10-15(16)18-3-1-2-8-27-18)29-20(31)14-6-4-12(9-17(14)23)19(30)28-11-21(24,25)26/h1-8,13-14,26H,9-12H2,(H,28,30);2-9,14-15H,10-13H2,1H3,(H,27,31);1-7,9,11-14H,8,10H2,(H,24,28)(H,26,27)(H,29,30);1-10H,11H2,(H,28,30)(H,29,31).

What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide?

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 1778.41 g/mol, XLogP of 18.10, 20 rotatable bonds, 8 hydrogen bond donors, and 17 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;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 158055107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).