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

C92H73F6N28O9+ — CID 160751029

IUPACN-[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
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(N3CCC3)cc2)n1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccncc1
InChIInChI=1S/C27H26N6O2.C23H18N8O2.C21H14F3N7O3.C21H14F3N7O2/c1-18-8-3-5-10-22(18)24(34)28-26-30-27(29-25(35)23-11-6-4-9-19(23)2)33(31-26)21-14-12-20(13-15-21)32-16-7-17-32;1-15-8-5-6-13-19(15)21(33)26-23-27-22(29-31(23)18-11-3-2-4-12-18)25-20(32)16-9-7-10-17(14-16)28-30-24;22-21(23,24)34-16-3-1-15(2-4-16)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13;22-21(23,24)15-1-3-16(4-2-15)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13/h3-6,8-15H,7,16-17H2,1-2H3,(H2,28,29,30,31,34,35);2-14,24H,1H3,(H-,25,26,27,29,32,33);1-12H,(H2,27,28,29,30,32,33);1-12H,(H2,27,28,29,30,32,33)/p+1
InChIKeyRWUZRZUODLWHGO-UHFFFAOYSA-O
MW1828.77 g/mol
LogP15.90
Rot. Bonds23

About 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

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 (PubChem CID 160751029) has the molecular formula C92H73F6N28O9+ and a molecular weight of 1828.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160751029
Molecular FormulaC92H73F6N28O9+
Molecular Weight1828.77 g/mol
Exact Mass1827.60
IUPAC NameN-[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
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(N3CCC3)cc2)n1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccncc1
InChIInChI=1S/C27H26N6O2.C23H18N8O2.C21H14F3N7O3.C21H14F3N7O2/c1-18-8-3-5-10-22(18)24(34)28-26-30-27(29-25(35)23-11-6-4-9-19(23)2)33(31-26)21-14-12-20(13-15-21)32-16-7-17-32;1-15-8-5-6-13-19(15)21(33)26-23-27-22(29-31(23)18-11-3-2-4-12-18)25-20(32)16-9-7-10-17(14-16)28-30-24;22-21(23,24)34-16-3-1-15(2-4-16)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13;22-21(23,24)15-1-3-16(4-2-15)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13/h3-6,8-15H,7,16-17H2,1-2H3,(H2,28,29,30,31,34,35);2-14,24H,1H3,(H-,25,26,27,29,32,33);1-12H,(H2,27,28,29,30,32,33);1-12H,(H2,27,28,29,30,32,33)/p+1
InChIKeyRWUZRZUODLWHGO-UHFFFAOYSA-O
XLogP15.90
TPSA469.98 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001828.77
LogP ≤ 515.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649994
[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium
CID 153496956
N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 146650001
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
2-methyl-N-[5-(6-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 146650024
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
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146650376
N-[4-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methylbenzamide
CID 5069001
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
CID 141097511

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(N3CCC3)cc2)n1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)c1ccncc1.O=C(Nc1nc(NC(=O)c2ccncc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is RWUZRZUODLWHGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H26N6O2.C23H18N8O2.C21H14F3N7O3.C21H14F3N7O2/c1-18-8-3-5-10-22(18)24(34)28-26-30-27(29-25(35)23-11-6-4-9-19(23)2)33(31-26)21-14-12-20(13-15-21)32-16-7-17-32;1-15-8-5-6-13-19(15)21(33)26-23-27-22(29-31(23)18-11-3-2-4-12-18)25-20(32)16-9-7-10-17(14-16)28-30-24;22-21(23,24)34-16-3-1-15(2-4-16)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13;22-21(23,24)15-1-3-16(4-2-15)31-20(28-18(33)14-7-11-26-12-8-14)29-19(30-31)27-17(32)13-5-9-25-10-6-13/h3-6,8-15H,7,16-17H2,1-2H3,(H2,28,29,30,31,34,35);2-14,24H,1H3,(H-,25,26,27,29,32,33);1-12H,(H2,27,28,29,30,32,33);1-12H,(H2,27,28,29,30,32,33)/p+1.
What are the key properties of 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?
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 has a molecular weight of 1828.77 g/mol, XLogP of 15.90, 23 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160751029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).