4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide

C72H59Cl5N12O8S — CID 157302770

About 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide (PubChem CID 157302770) has the molecular formula C72H59Cl5N12O8S and a molecular weight of 1429.67 g/mol. Its IUPAC name is 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide.

Molecular Properties

• Compound Name: 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
• PubChem CID: 157302770
• Molecular Formula: C72H59Cl5N12O8S
• Molecular Weight: 1429.67 g/mol
• Exact Mass: 1426.27
• IUPAC Name: 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide
• SMILES: CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1
• InChI: InChI=1S/C25H18Cl2N4O3.C24H17Cl2N5O2.C23H24ClN3O3S/c1-34-23-10-7-17(14-29-23)31-24(32)15-5-8-18(21(27)12-15)25(33)30-16-6-9-20(26)19(13-16)22-4-2-3-11-28-22;25-19-8-5-15(12-18(19)21-3-1-2-10-28-21)30-24(33)17-7-4-14(11-20(17)26)23(32)31-16-6-9-22(27)29-13-16;1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22/h2-14H,1H3,(H,30,33)(H,31,32);1-13H,(H2,27,29)(H,30,33)(H,31,32);3-12,15H,13-14,16H2,1-2H3,(H,26,28)
• InChIKey: BCCDCEFUVLUBOP-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 282.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1429.67
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The IUPAC name of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide (CID 157302770) is 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide.

What is the SMILES notation for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The canonical SMILES for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide is CN(C)CCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.

What is the InChIKey of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

The InChIKey is BCCDCEFUVLUBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O3.C24H17Cl2N5O2.C23H24ClN3O3S/c1-34-23-10-7-17(14-29-23)31-24(32)15-5-8-18(21(27)12-15)25(33)30-16-6-9-20(26)19(13-16)22-4-2-3-11-28-22;25-19-8-5-15(12-18(19)21-3-1-2-10-28-21)30-24(33)17-7-4-14(11-20(17)26)23(32)31-16-6-9-22(27)29-13-16;1-27(2)13-14-31(29,30)16-17-6-8-18(9-7-17)23(28)26-19-10-11-21(24)20(15-19)22-5-3-4-12-25-22/h2-14H,1H3,(H,30,33)(H,31,32);1-13H,(H2,27,29)(H,30,33)(H,31,32);3-12,15H,13-14,16H2,1-2H3,(H,26,28).

What are the key properties of 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide?

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide has a molecular weight of 1429.67 g/mol, XLogP of 15.63, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-(dimethylamino)ethylsulfonylmethyl]benzamide is sourced from PubChem (CID 157302770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).