2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide

C89H66Cl6FN13O9S3 — CID 157329224

About 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide

2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 157329224) has the molecular formula C89H66Cl6FN13O9S3 and a molecular weight of 1789.51 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide
• PubChem CID: 157329224
• Molecular Formula: C89H66Cl6FN13O9S3
• Molecular Weight: 1789.51 g/mol
• Exact Mass: 1785.24
• IUPAC Name: 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide
• SMILES: CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccsc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Nc1ncccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccnc1F
• InChI: InChI=1S/C19H14Cl2N2O3S.C19H15ClN2O3S.C17H11ClFN3O.C17H13ClN4O.C17H13ClN2OS/c1-27(25,26)13-6-8-17(21)15(11-13)19(24)23-12-5-7-16(20)14(10-12)18-4-2-3-9-22-18;1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18;2*18-14-7-6-11(10-13(14)15-5-1-2-8-20-15)22-17(23)12-4-3-9-21-16(12)19;1-11-7-9-22-16(11)17(21)20-12-5-6-14(18)13(10-12)15-4-2-3-8-19-15/h2-11H,1H3,(H,23,24);2-12H,1H3,(H,22,23);1-10H,(H,22,23);1-10H,(H2,19,21)(H,22,23);2-10H,1H3,(H,20,21)
• InChIKey: BFCARUGVRPUGOX-UHFFFAOYSA-N
• XLogP: 21.61
• TPSA: 330.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.51
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide?

The IUPAC name of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide (CID 157329224) is 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide.

What is the SMILES notation for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide?

The canonical SMILES for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.Cc1ccsc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Nc1ncccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cccnc1F.

What is the InChIKey of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide?

The InChIKey is BFCARUGVRPUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S.C19H15ClN2O3S.C17H11ClFN3O.C17H13ClN4O.C17H13ClN2OS/c1-27(25,26)13-6-8-17(21)15(11-13)19(24)23-12-5-7-16(20)14(10-12)18-4-2-3-9-22-18;1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18;2*18-14-7-6-11(10-13(14)15-5-1-2-8-20-15)22-17(23)12-4-3-9-21-16(12)19;1-11-7-9-22-16(11)17(21)20-12-5-6-14(18)13(10-12)15-4-2-3-8-19-15/h2-11H,1H3,(H,23,24);2-12H,1H3,(H,22,23);1-10H,(H,22,23);1-10H,(H2,19,21)(H,22,23);2-10H,1H3,(H,20,21).

What are the key properties of 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide?

2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 1789.51 g/mol, XLogP of 21.61, 17 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-fluoropyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 157329224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).