2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C81H73Cl5F6N20O5 — CID 159275767

About 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 159275767) has the molecular formula C81H73Cl5F6N20O5 and a molecular weight of 1697.86 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 159275767
• Molecular Formula: C81H73Cl5F6N20O5
• Molecular Weight: 1697.86 g/mol
• Exact Mass: 1694.44
• IUPAC Name: 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.Cc1cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)cc(C(F)(F)F)c1.Cc1cnc(-n2cnc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)n2)c(Cl)c1.Cc1nc(NCCCN2CCCC2=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
• InChI: InChI=1S/C25H26ClN5O2.C24H25ClN4O.C17H13ClF3N5O.C15H9Cl2F3N6O/c1-17-19(9-11-23(29-17)28-13-5-15-31-14-4-7-24(31)32)25(33)30-18-8-10-21(26)20(16-18)22-6-2-3-12-27-22;1-28-12-14-29(15-13-28)17-18-5-7-19(8-6-18)24(30)27-20-9-10-22(25)21(16-20)23-4-2-3-11-26-23;1-9-3-11(6-12(4-9)17(19,20)21)15(27)24-16-23-8-26(25-16)14-13(18)5-10(2)7-22-14;1-7-4-9(16)12(21-5-7)26-6-22-14(25-26)24-13(27)8-2-3-10(15(18,19)20)23-11(8)17/h2-3,6,8-12,16H,4-5,7,13-15H2,1H3,(H,28,29)(H,30,33);2-11,16H,12-15,17H2,1H3,(H,27,30);3-8H,1-2H3,(H,24,25,27);2-6H,1H3,(H,24,25,27)
• InChIKey: KYHBKPBFSCKIRN-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 293.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.86
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The IUPAC name of 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 159275767) is 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The canonical SMILES for 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.Cc1cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)cc(C(F)(F)F)c1.Cc1cnc(-n2cnc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)n2)c(Cl)c1.Cc1nc(NCCCN2CCCC2=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.

What is the InChIKey of 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is KYHBKPBFSCKIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2.C24H25ClN4O.C17H13ClF3N5O.C15H9Cl2F3N6O/c1-17-19(9-11-23(29-17)28-13-5-15-31-14-4-7-24(31)32)25(33)30-18-8-10-21(26)20(16-18)22-6-2-3-12-27-22;1-28-12-14-29(15-13-28)17-18-5-7-19(8-6-18)24(30)27-20-9-10-22(25)21(16-20)23-4-2-3-11-26-23;1-9-3-11(6-12(4-9)17(19,20)21)15(27)24-16-23-8-26(25-16)14-13(18)5-10(2)7-22-14;1-7-4-9(16)12(21-5-7)26-6-22-14(25-26)24-13(27)8-2-3-10(15(18,19)20)23-11(8)17/h2-3,6,8-12,16H,4-5,7,13-15H2,1H3,(H,28,29)(H,30,33);2-11,16H,12-15,17H2,1H3,(H,27,30);3-8H,1-2H3,(H,24,25,27);2-6H,1H3,(H,24,25,27).

What are the key properties of 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 1697.86 g/mol, XLogP of 17.33, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 159275767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).