N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide

C89H68Cl2F5N25O8 — CID 161064740

IUPACN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(Cl)cc1.Cc1cncc(F)c1C(=O)Nc1nc(NC(=O)c2c(C)cncc2F)n(-c2ccccc2)n1
InChIInChI=1S/C23H17F3N6O2.2C22H17ClN6O2.C22H17F2N7O2/c1-14-5-2-3-7-18(14)20(34)29-22-30-21(28-19(33)15-6-4-12-27-13-15)31-32(22)17-10-8-16(9-11-17)23(24,25)26;1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17;1-14-4-2-3-5-18(14)20(31)26-22-27-21(25-19(30)15-10-12-24-13-11-15)28-29(22)17-8-6-16(23)7-9-17;1-12-8-25-10-15(23)17(12)19(32)27-21-29-22(31(30-21)14-6-4-3-5-7-14)28-20(33)18-13(2)9-26-11-16(18)24/h2-13H,1H3,(H2,28,29,30,31,33,34);2*2-13H,1H3,(H2,25,26,27,28,30,31);3-11H,1-2H3,(H2,27,28,29,30,32,33)
InChIKeyUDWFZMFYTRRREL-UHFFFAOYSA-N
MW1781.59 g/mol
LogP16.21
Rot. Bonds20

About N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide

N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide (PubChem CID 161064740) has the molecular formula C89H68Cl2F5N25O8 and a molecular weight of 1781.59 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
PubChem CID161064740
Molecular FormulaC89H68Cl2F5N25O8
Molecular Weight1781.59 g/mol
Exact Mass1779.50
IUPAC NameN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(Cl)cc1.Cc1cncc(F)c1C(=O)Nc1nc(NC(=O)c2c(C)cncc2F)n(-c2ccccc2)n1
InChIInChI=1S/C23H17F3N6O2.2C22H17ClN6O2.C22H17F2N7O2/c1-14-5-2-3-7-18(14)20(34)29-22-30-21(28-19(33)15-6-4-12-27-13-15)31-32(22)17-10-8-16(9-11-17)23(24,25)26;1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17;1-14-4-2-3-5-18(14)20(31)26-22-27-21(25-19(30)15-10-12-24-13-11-15)28-29(22)17-8-6-16(23)7-9-17;1-12-8-25-10-15(23)17(12)19(32)27-21-29-22(31(30-21)14-6-4-3-5-7-14)28-20(33)18-13(2)9-26-11-16(18)24/h2-13H,1H3,(H2,28,29,30,31,33,34);2*2-13H,1H3,(H2,25,26,27,28,30,31);3-11H,1-2H3,(H2,27,28,29,30,32,33)
InChIKeyUDWFZMFYTRRREL-UHFFFAOYSA-N
XLogP16.21
TPSA420.09 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001781.59
LogP ≤ 516.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649862
N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649994
N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 146650001
N-[1-[4-(azetidin-1-yl)phenyl]-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 160751029
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
CID 146650316
1-(4-chlorophenyl)-N'-(2-methylbenzoyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 55454920
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146650376
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide
CID 46651724
N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 123146301
3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71859005

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide (CID 161064740) is N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccncc2)nn1-c1ccc(Cl)cc1.Cc1cncc(F)c1C(=O)Nc1nc(NC(=O)c2c(C)cncc2F)n(-c2ccccc2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The InChIKey is UDWFZMFYTRRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2.2C22H17ClN6O2.C22H17F2N7O2/c1-14-5-2-3-7-18(14)20(34)29-22-30-21(28-19(33)15-6-4-12-27-13-15)31-32(22)17-10-8-16(9-11-17)23(24,25)26;1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17;1-14-4-2-3-5-18(14)20(31)26-22-27-21(25-19(30)15-10-12-24-13-11-15)28-29(22)17-8-6-16(23)7-9-17;1-12-8-25-10-15(23)17(12)19(32)27-21-29-22(31(30-21)14-6-4-3-5-7-14)28-20(33)18-13(2)9-26-11-16(18)24/h2-13H,1H3,(H2,28,29,30,31,33,34);2*2-13H,1H3,(H2,25,26,27,28,30,31);3-11H,1-2H3,(H2,27,28,29,30,32,33).
What are the key properties of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide has a molecular weight of 1781.59 g/mol, XLogP of 16.21, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161064740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).