6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide

C90H77Cl5F3N19O6 — CID 160851235

About 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 160851235) has the molecular formula C90H77Cl5F3N19O6 and a molecular weight of 1754.99 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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-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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide
• PubChem CID: 160851235
• Molecular Formula: C90H77Cl5F3N19O6
• Molecular Weight: 1754.99 g/mol
• Exact Mass: 1751.47
• IUPAC Name: 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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(NCCC2=CN=CC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCn2ccnc2)nc1
• InChI: InChI=1S/C23H21ClN6O.C23H22ClN5O2.C23H20ClN5O.C21H14Cl2F3N3O2/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;24-20-6-5-18(13-19(20)21-3-1-2-10-26-21)29-23(30)17-4-7-22(28-15-17)27-12-9-16-8-11-25-14-16;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/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);1-7,10-11,13-15H,8-9,12H2,(H,27,28)(H,29,30);1-10H,11H2,(H,28,30)(H,29,31)
• InChIKey: SJHDOPJWLNQQPW-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 313.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1754.99
LogP ≤ 5	19.28
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;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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-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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide (CID 160851235) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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-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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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-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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-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(NCCC2=CN=CC2)nc1.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;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide?

The InChIKey is SJHDOPJWLNQQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.C23H22ClN5O2.C23H20ClN5O.C21H14Cl2F3N3O2/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;24-20-6-5-18(13-19(20)21-3-1-2-10-26-21)29-23(30)17-4-7-22(28-15-17)27-12-9-16-8-11-25-14-16;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/h1-2,4-9,11,13-16H,3,10,12H2,(H,27,28)(H,29,31);2-9,14-15H,10-13H2,1H3,(H,27,31);1-7,10-11,13-15H,8-9,12H2,(H,27,28)(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-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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide?

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 1754.99 g/mol, XLogP of 19.28, 24 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;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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 160851235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).