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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C73H63Cl5F6N20O5 — CID 161028667

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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 161028667) has the molecular formula C73H63Cl5F6N20O5 and a molecular weight of 1591.69 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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 161028667
• Molecular Formula: C73H63Cl5F6N20O5
• Molecular Weight: 1591.69 g/mol
• Exact Mass: 1588.36
• 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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.COc1cc(C)cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)c1.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
• InChI: InChI=1S/C24H25ClN4O.C17H13ClF3N5O.C17H16ClN5O2.C15H9Cl2F3N6O/c1-28-12-14-29(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;1-10-4-12(7-13(5-10)25-3)16(24)21-17-20-9-23(22-17)15-14(18)6-11(2)8-19-15;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/h2-11,16H,12-15,17H2,1H3,(H,27,30);3-8H,1-2H3,(H,24,25,27);4-9H,1-3H3,(H,21,22,24);2-6H,1H3,(H,24,25,27)
• InChIKey: TZIBBCBLPJMSIU-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 288.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.69
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 161028667) 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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.COc1cc(C)cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)c1.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.

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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is TZIBBCBLPJMSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O.C17H13ClF3N5O.C17H16ClN5O2.C15H9Cl2F3N6O/c1-28-12-14-29(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;1-10-4-12(7-13(5-10)25-3)16(24)21-17-20-9-23(22-17)15-14(18)6-11(2)8-19-15;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/h2-11,16H,12-15,17H2,1H3,(H,27,30);3-8H,1-2H3,(H,24,25,27);4-9H,1-3H3,(H,21,22,24);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-methoxy-5-methylbenzamide;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)-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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 1591.69 g/mol, XLogP of 15.74, 15 rotatable bonds, 4 hydrogen bond donors, and 21 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-methoxy-5-methylbenzamide;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)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 161028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).