6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide

C83H69Cl4F3N16O8S — CID 159716684

IUPAC6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCO)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Nc2ccccc2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)nc1
InChIInChI=1S/C23H24ClN5O2.C23H17ClN4O.C19H17ClN4O2.C18H11ClF3N3O3S/c24-20-6-5-18(15-19(20)21-3-1-2-8-25-21)28-23(30)17-4-7-22(27-16-17)26-9-10-29-11-13-31-14-12-29;24-20-11-10-18(14-19(20)21-8-4-5-13-25-21)28-23(29)16-9-12-22(26-15-16)27-17-6-2-1-3-7-17;20-16-6-5-14(11-15(16)17-3-1-2-8-21-17)24-19(26)13-4-7-18(23-12-13)22-9-10-25;19-14-6-5-12(9-13(14)15-3-1-2-8-23-15)25-17(26)11-4-7-16(24-10-11)29(27,28)18(20,21)22/h1-8,15-16H,9-14H2,(H,26,27)(H,28,30);1-15H,(H,26,27)(H,28,29);1-8,11-12,25H,9-10H2,(H,22,23)(H,24,26);1-10H,(H,25,26)
InChIKeyMZNGPGMFVLMUQA-UHFFFAOYSA-N
MW1649.44 g/mol
LogP17.38
Rot. Bonds22

About 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide

6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide (PubChem CID 159716684) has the molecular formula C83H69Cl4F3N16O8S and a molecular weight of 1649.44 g/mol. Its IUPAC name is 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide
PubChem CID159716684
Molecular FormulaC83H69Cl4F3N16O8S
Molecular Weight1649.44 g/mol
Exact Mass1646.39
IUPAC Name6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCO)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Nc2ccccc2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)nc1
InChIInChI=1S/C23H24ClN5O2.C23H17ClN4O.C19H17ClN4O2.C18H11ClF3N3O3S/c24-20-6-5-18(15-19(20)21-3-1-2-8-25-21)28-23(30)17-4-7-22(27-16-17)26-9-10-29-11-13-31-14-12-29;24-20-11-10-18(14-19(20)21-8-4-5-13-25-21)28-23(29)16-9-12-22(26-15-16)27-17-6-2-1-3-7-17;20-16-6-5-14(11-15(16)17-3-1-2-8-21-17)24-19(26)13-4-7-18(23-12-13)22-9-10-25;19-14-6-5-12(9-13(14)15-3-1-2-8-23-15)25-17(26)11-4-7-16(24-10-11)29(27,28)18(20,21)22/h1-8,15-16H,9-14H2,(H,26,27)(H,28,30);1-15H,(H,26,27)(H,28,29);1-8,11-12,25H,9-10H2,(H,22,23)(H,24,26);1-10H,(H,25,26)
InChIKeyMZNGPGMFVLMUQA-UHFFFAOYSA-N
XLogP17.38
TPSA322.45 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms115
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001649.44
LogP ≤ 517.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide (CID 159716684) is 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCO)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Nc2ccccc2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)nc1.
What is the InChIKey of 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
The InChIKey is MZNGPGMFVLMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2.C23H17ClN4O.C19H17ClN4O2.C18H11ClF3N3O3S/c24-20-6-5-18(15-19(20)21-3-1-2-8-25-21)28-23(30)17-4-7-22(27-16-17)26-9-10-29-11-13-31-14-12-29;24-20-11-10-18(14-19(20)21-8-4-5-13-25-21)28-23(29)16-9-12-22(26-15-16)27-17-6-2-1-3-7-17;20-16-6-5-14(11-15(16)17-3-1-2-8-21-17)24-19(26)13-4-7-18(23-12-13)22-9-10-25;19-14-6-5-12(9-13(14)15-3-1-2-8-23-15)25-17(26)11-4-7-16(24-10-11)29(27,28)18(20,21)22/h1-8,15-16H,9-14H2,(H,26,27)(H,28,30);1-15H,(H,26,27)(H,28,29);1-8,11-12,25H,9-10H2,(H,22,23)(H,24,26);1-10H,(H,25,26).
What are the key properties of 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide?
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide has a molecular weight of 1649.44 g/mol, XLogP of 17.38, 22 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 159716684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).