N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide

C63H45Cl2F3N20O7 — CID 159489766

About N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide

N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide (PubChem CID 159489766) has the molecular formula C63H45Cl2F3N20O7 and a molecular weight of 1322.09 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
• PubChem CID: 159489766
• Molecular Formula: C63H45Cl2F3N20O7
• Molecular Weight: 1322.09 g/mol
• Exact Mass: 1320.31
• IUPAC Name: N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
• SMILES: Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(OC(F)(F)F)cc1.O=C(Nc1nc(NC(=O)c2cccnc2)n(-c2ccc(Cl)cc2)n1)c1cccnc1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(Cl)cc2)n1)c1ccncc1
• InChI: InChI=1S/C23H17F3N6O3.2C20H14ClN7O2/c1-14-4-2-3-5-18(14)20(34)29-22-30-21(28-19(33)15-10-12-27-13-11-15)31-32(22)16-6-8-17(9-7-16)35-23(24,25)26;21-15-1-3-16(4-2-15)28-20(25-18(30)14-7-11-23-12-8-14)26-19(27-28)24-17(29)13-5-9-22-10-6-13;21-15-5-7-16(8-6-15)28-20(25-18(30)14-4-2-10-23-12-14)26-19(27-28)24-17(29)13-3-1-9-22-11-13/h2-13H,1H3,(H2,28,29,30,31,33,34);2*1-12H,(H2,24,25,26,27,29,30)
• InChIKey: LYAPOYUVLJGMKL-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 340.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1322.09
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?

The IUPAC name of N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide (CID 159489766) is N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(OC(F)(F)F)cc1.O=C(Nc1nc(NC(=O)c2cccnc2)n(-c2ccc(Cl)cc2)n1)c1cccnc1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(Cl)cc2)n1)c1ccncc1.

What is the InChIKey of N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?

The InChIKey is LYAPOYUVLJGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O3.2C20H14ClN7O2/c1-14-4-2-3-5-18(14)20(34)29-22-30-21(28-19(33)15-10-12-27-13-11-15)31-32(22)16-6-8-17(9-7-16)35-23(24,25)26;21-15-1-3-16(4-2-15)28-20(25-18(30)14-7-11-23-12-8-14)26-19(27-28)24-17(29)13-5-9-22-10-6-13;21-15-5-7-16(8-6-15)28-20(25-18(30)14-4-2-10-23-12-14)26-19(27-28)24-17(29)13-3-1-9-22-11-13/h2-13H,1H3,(H2,28,29,30,31,33,34);2*1-12H,(H2,24,25,26,27,29,30).

What are the key properties of N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide?

N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide has a molecular weight of 1322.09 g/mol, XLogP of 10.80, 16 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-chlorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-(pyridine-4-carbonylamino)-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159489766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).