4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

C96H78Cl4N18O8 — CID 160637642

About 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide

4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (PubChem CID 160637642) has the molecular formula C96H78Cl4N18O8 and a molecular weight of 1753.61 g/mol. Its IUPAC name is 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
• PubChem CID: 160637642
• Molecular Formula: C96H78Cl4N18O8
• Molecular Weight: 1753.61 g/mol
• Exact Mass: 1750.50
• IUPAC Name: 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
• SMILES: COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C25H19ClN4O3.C24H18ClN5O2.C24H17ClN4O2.C23H24ClN5O/c1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;25-20-10-8-17(13-19(20)21-3-1-2-12-27-21)29-23(31)15-4-6-16(7-5-15)24(32)30-18-9-11-22(26)28-14-18;25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21/h2-15H,1H3,(H,29,31)(H,30,32);1-14H,(H2,26,28)(H,29,31)(H,30,32);1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30)/t;;;15-,16+
• InChIKey: RITBAWLQJHUYFF-UTUFBNIDSA-N
• XLogP: 19.73
• TPSA: 357.34 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.61
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The IUPAC name of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide (CID 160637642) is 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)C[C@H](C)N1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)cn1.O=C(Nc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.

What is the InChIKey of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

The InChIKey is RITBAWLQJHUYFF-UTUFBNIDSA-N. The full InChI is InChI=1S/C25H19ClN4O3.C24H18ClN5O2.C24H17ClN4O2.C23H24ClN5O/c1-33-23-12-10-19(15-28-23)30-25(32)17-7-5-16(6-8-17)24(31)29-18-9-11-21(26)20(14-18)22-4-2-3-13-27-22;25-20-10-8-17(13-19(20)21-3-1-2-12-27-21)29-23(31)15-4-6-16(7-5-15)24(32)30-18-9-11-22(26)28-14-18;25-21-11-10-18(14-20(21)22-5-1-2-13-27-22)28-23(30)16-6-8-17(9-7-16)24(31)29-19-4-3-12-26-15-19;1-15-13-29(14-16(2)27-15)22-9-6-17(12-26-22)23(30)28-18-7-8-20(24)19(11-18)21-5-3-4-10-25-21/h2-15H,1H3,(H,29,31)(H,30,32);1-14H,(H2,26,28)(H,29,31)(H,30,32);1-15H,(H,28,30)(H,29,31);3-12,15-16,27H,13-14H2,1-2H3,(H,28,30)/t;;;15-,16+.

What are the key properties of 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide?

4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide has a molecular weight of 1753.61 g/mol, XLogP of 19.73, 20 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 160637642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).