6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide

C100H75Cl6FN16O9S2 — CID 159749218

IUPAC6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cnn1-c1ccc(F)cc1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2ccccc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C23H17ClN4O.C22H16ClFN4O.C20H17ClN2O3S.C18H14ClN3O3S.C17H11Cl2N3O/c1-15-26-14-19(22(27-15)16-7-3-2-4-8-16)23(29)28-17-10-11-20(24)18(13-17)21-9-5-6-12-25-21;1-14-19(13-26-28(14)17-8-5-15(24)6-9-17)22(29)27-16-7-10-20(23)18(12-16)21-4-2-3-11-25-21;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16;18-14-6-5-12(9-13(14)15-3-1-2-8-20-15)22-17(23)11-4-7-16(19)21-10-11/h2-14H,1H3,(H,28,29);2-13H,1H3,(H,27,29);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23);1-10H,(H,22,23)
InChIKeyNDLBXKQHFOORMT-UHFFFAOYSA-N
MW1940.65 g/mol
LogP23.23
Rot. Bonds19

About 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide

6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 159749218) has the molecular formula C100H75Cl6FN16O9S2 and a molecular weight of 1940.65 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide
PubChem CID159749218
Molecular FormulaC100H75Cl6FN16O9S2
Molecular Weight1940.65 g/mol
Exact Mass1936.35
IUPAC Name6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cnn1-c1ccc(F)cc1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2ccccc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C23H17ClN4O.C22H16ClFN4O.C20H17ClN2O3S.C18H14ClN3O3S.C17H11Cl2N3O/c1-15-26-14-19(22(27-15)16-7-3-2-4-8-16)23(29)28-17-10-11-20(24)18(13-17)21-9-5-6-12-25-21;1-14-19(13-26-28(14)17-8-5-15(24)6-9-17)22(29)27-16-7-10-20(23)18(12-16)21-4-2-3-11-25-21;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16;18-14-6-5-12(9-13(14)15-3-1-2-8-20-15)22-17(23)11-4-7-16(19)21-10-11/h2-14H,1H3,(H,28,29);2-13H,1H3,(H,27,29);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23);1-10H,(H,22,23)
InChIKeyNDLBXKQHFOORMT-UHFFFAOYSA-N
XLogP23.23
TPSA347.61 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.65
LogP ≤ 523.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide (CID 159749218) is 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cnn1-c1ccc(F)cc1.Cc1cc(S(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.Cc1ncc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2ccccc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide?
The InChIKey is NDLBXKQHFOORMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O.C22H16ClFN4O.C20H17ClN2O3S.C18H14ClN3O3S.C17H11Cl2N3O/c1-15-26-14-19(22(27-15)16-7-3-2-4-8-16)23(29)28-17-10-11-20(24)18(13-17)21-9-5-6-12-25-21;1-14-19(13-26-28(14)17-8-5-15(24)6-9-17)22(29)27-16-7-10-20(23)18(12-16)21-4-2-3-11-25-21;1-13-11-15(27(2,25)26)7-8-16(13)20(24)23-14-6-9-18(21)17(12-14)19-5-3-4-10-22-19;1-26(24,25)17-8-5-12(11-21-17)18(23)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16;18-14-6-5-12(9-13(14)15-3-1-2-8-20-15)22-17(23)11-4-7-16(19)21-10-11/h2-14H,1H3,(H,28,29);2-13H,1H3,(H,27,29);3-12H,1-2H3,(H,23,24);2-11H,1H3,(H,22,23);1-10H,(H,22,23).
What are the key properties of 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide?
6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide has a molecular weight of 1940.65 g/mol, XLogP of 23.23, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 159749218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).