2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

C89H82Cl5N17O7 — CID 160682533

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 160682533) has the molecular formula C89H82Cl5N17O7 and a molecular weight of 1679.01 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
• PubChem CID: 160682533
• Molecular Formula: C89H82Cl5N17O7
• Molecular Weight: 1679.01 g/mol
• Exact Mass: 1675.50
• IUPAC Name: 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(NCCCn2ccnc2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
• InChI: InChI=1S/C24H23ClN6O.C22H19ClN4O3.C22H23ClN4O.C21H17Cl2N3O2/c1-17-19(7-9-23(29-17)28-11-4-13-31-14-12-26-16-31)24(32)30-18-6-8-21(25)20(15-18)22-5-2-3-10-27-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H,28,29)(H,30,32);1-8,13-14H,9-12H2,(H,26,28);4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,27)
• InChIKey: ROIJJIWFMBMCHA-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 298.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.01
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (CID 160682533) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1nc(NCCCn2ccnc2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1.

What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

The InChIKey is ROIJJIWFMBMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O.C22H19ClN4O3.C22H23ClN4O.C21H17Cl2N3O2/c1-17-19(7-9-23(29-17)28-11-4-13-31-14-12-26-16-31)24(32)30-18-6-8-21(25)20(15-18)22-5-2-3-10-27-22;23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H,28,29)(H,30,32);1-8,13-14H,9-12H2,(H,26,28);4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,27).

What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 1679.01 g/mol, XLogP of 19.01, 22 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-imidazol-1-ylpropylamino)-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 160682533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).