2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide

C94H77Cl7N14O12S — CID 159601669

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide (PubChem CID 159601669) has the molecular formula C94H77Cl7N14O12S and a molecular weight of 1874.97 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
• PubChem CID: 159601669
• Molecular Formula: C94H77Cl7N14O12S
• Molecular Weight: 1874.97 g/mol
• Exact Mass: 1870.34
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
• SMILES: CC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)cn1.C[C@@H](O)CNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)n1
• InChI: InChI=1S/C26H20Cl2N4O2.C24H18ClN5O3.C22H19Cl2N3O3.C22H20Cl2N2O4S/c1-16-5-4-6-19(31-16)15-30-25(33)17-8-10-20(23(28)13-17)26(34)32-18-9-11-22(27)21(14-18)24-7-2-3-12-29-24;1-33-22-10-7-17(14-28-22)30-24(32)21-9-5-15(13-27-21)23(31)29-16-6-8-19(25)18(12-16)20-4-2-3-11-26-20;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20;1-14(27)12-31(29,30)13-15-5-7-17(20(24)10-15)22(28)26-16-6-8-19(23)18(11-16)21-4-2-3-9-25-21/h2-14H,15H2,1H3,(H,30,33)(H,32,34);2-14H,1H3,(H,29,31)(H,30,32);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);2-11,14,27H,12-13H2,1H3,(H,26,28)/t;;13-;/m..1./s1
• InChIKey: MLODQUQYNVZSOX-JYYARYETSA-N
• XLogP: 19.67
• TPSA: 377.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1874.97
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide (CID 159601669) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide is CC(O)CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cn2)cn1.C[C@@H](O)CNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)n1.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide?

The InChIKey is MLODQUQYNVZSOX-JYYARYETSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2.C24H18ClN5O3.C22H19Cl2N3O3.C22H20Cl2N2O4S/c1-16-5-4-6-19(31-16)15-30-25(33)17-8-10-20(23(28)13-17)26(34)32-18-9-11-22(27)21(14-18)24-7-2-3-12-29-24;1-33-22-10-7-17(14-28-22)30-24(32)21-9-5-15(13-27-21)23(31)29-16-6-8-19(25)18(12-16)20-4-2-3-11-26-20;1-13(28)12-26-21(29)14-5-7-16(19(24)10-14)22(30)27-15-6-8-18(23)17(11-15)20-4-2-3-9-25-20;1-14(27)12-31(29,30)13-15-5-7-17(20(24)10-15)22(28)26-16-6-8-19(23)18(11-16)21-4-2-3-9-25-21/h2-14H,15H2,1H3,(H,30,33)(H,32,34);2-14H,1H3,(H,29,31)(H,30,32);2-11,13,28H,12H2,1H3,(H,26,29)(H,27,30);2-11,14,27H,12-13H2,1H3,(H,26,28)/t;;13-;/m..1./s1.

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide has a molecular weight of 1874.97 g/mol, XLogP of 19.67, 25 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2R)-2-hydroxypropyl]benzene-1,4-dicarboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonylmethyl)benzamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide;5-N-(4-chloro-3-pyridin-2-ylphenyl)-2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 159601669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).