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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate

C71H59Cl5N13O8S- — CID 160903860

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate (PubChem CID 160903860) has the molecular formula C71H59Cl5N13O8S- and a molecular weight of 1431.67 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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate.

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate
• PubChem CID: 160903860
• Molecular Formula: C71H59Cl5N13O8S-
• Molecular Weight: 1431.67 g/mol
• Exact Mass: 1428.28
• 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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate
• SMILES: CN(C)CCS(=O)[O-].COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1
• InChI: InChI=1S/C25H18Cl2N4O3.C24H17Cl2N5O2.C18H14ClN3O.C4H11NO2S/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;1-12-5-6-13(11-21-12)18(23)22-14-7-8-16(19)15(10-14)17-4-2-3-9-20-17;1-5(2)3-4-8(6)7/h2-14H,1H3,(H,30,33)(H,31,32);1-13H,(H2,27,29)(H,30,33)(H,31,32);2-11H,1H3,(H,22,23);3-4H2,1-2H3,(H,6,7)/p-1
• InChIKey: WWDGISIGEQFHFW-UHFFFAOYSA-M
• XLogP: 15.29
• TPSA: 301.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1431.67
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate?

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate (CID 160903860) 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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate.

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate?

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate is CN(C)CCS(=O)[O-].COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cn1.Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate?

The InChIKey is WWDGISIGEQFHFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H18Cl2N4O3.C24H17Cl2N5O2.C18H14ClN3O.C4H11NO2S/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;1-12-5-6-13(11-21-12)18(23)22-14-7-8-16(19)15(10-14)17-4-2-3-9-20-17;1-5(2)3-4-8(6)7/h2-14H,1H3,(H,30,33)(H,31,32);1-13H,(H2,27,29)(H,30,33)(H,31,32);2-11H,1H3,(H,22,23);3-4H2,1-2H3,(H,6,7)/p-1.

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate?

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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate has a molecular weight of 1431.67 g/mol, XLogP of 15.29, 17 rotatable bonds, 6 hydrogen bond donors, and 16 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)-6-methylpyridine-3-carboxamide;2-(dimethylamino)ethanesulfinate is sourced from PubChem (CID 160903860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).