2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
C76H72Cl2F3N27O5 — CID 158662044
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c1.Cc1nc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2cccnc2)n1
InChIInChI=1S/2C20H22N8O.C19H17ClN6O2.C17H11ClF3N5O/c1-14-23-18(15-4-3-7-21-12-15)25-20(24-14)26-19(29)16-5-6-17(22-13-16)28-10-8-27(2)9-11-28;1-14-23-18(16-5-3-4-8-21-16)25-20(24-14)26-19(29)15-6-7-17(22-13-15)28-11-9-27(2)10-12-28;1-3-16(27)24-12-7-8-14(20)13(10-12)18(28)26-19-23-11(2)22-17(25-19)15-6-4-5-9-21-15;1-9-23-14(13-4-2-3-7-22-13)25-16(24-9)26-15(27)10-5-6-12(18)11(8-10)17(19,20)21/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,25,26,29);3-8,13H,9-12H2,1-2H3,(H,23,24,25,26,29);4-10H,3H2,1-2H3,(H,24,27)(H,22,23,25,26,28);2-8H,1H3,(H,23,24,25,26,27)
InChIKeyICWKNGJBEZIFMG-UHFFFAOYSA-N
MW1571.50 g/mol
LogP10.94
Rot. Bonds16
About 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (PubChem CID 158662044) has the molecular formula C76H72Cl2F3N27O5 and a molecular weight of 1571.50 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158662044 |
| Molecular Formula | C76H72Cl2F3N27O5 |
| Molecular Weight | 1571.50 g/mol |
| Exact Mass | 1569.55 |
| IUPAC Name | 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide |
| SMILES | CCC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c1.Cc1nc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2cccnc2)n1 |
| InChI | InChI=1S/2C20H22N8O.C19H17ClN6O2.C17H11ClF3N5O/c1-14-23-18(15-4-3-7-21-12-15)25-20(24-14)26-19(29)16-5-6-17(22-13-16)28-10-8-27(2)9-11-28;1-14-23-18(16-5-3-4-8-21-16)25-20(24-14)26-19(29)15-6-7-17(22-13-15)28-11-9-27(2)10-12-28;1-3-16(27)24-12-7-8-14(20)13(10-12)18(28)26-19-23-11(2)22-17(25-19)15-6-4-5-9-21-15;1-9-23-14(13-4-2-3-7-22-13)25-16(24-9)26-15(27)10-5-6-12(18)11(8-10)17(19,20)21/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,25,26,29);3-8,13H,9-12H2,1-2H3,(H,23,24,25,26,29);4-10H,3H2,1-2H3,(H,24,27)(H,22,23,25,26,28);2-8H,1H3,(H,23,24,25,26,27) |
| InChIKey | ICWKNGJBEZIFMG-UHFFFAOYSA-N |
| XLogP | 10.94 |
| TPSA | 390.48 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 113 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1571.50 |
| LogP ≤ 5 | 10.94 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide (CID 158662044) is 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is CCC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)c1.Cc1nc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
The InChIKey is ICWKNGJBEZIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22N8O.C19H17ClN6O2.C17H11ClF3N5O/c1-14-23-18(15-4-3-7-21-12-15)25-20(24-14)26-19(29)16-5-6-17(22-13-16)28-10-8-27(2)9-11-28;1-14-23-18(16-5-3-4-8-21-16)25-20(24-14)26-19(29)15-6-7-17(22-13-15)28-11-9-27(2)10-12-28;1-3-16(27)24-12-7-8-14(20)13(10-12)18(28)26-19-23-11(2)22-17(25-19)15-6-4-5-9-21-15;1-9-23-14(13-4-2-3-7-22-13)25-16(24-9)26-15(27)10-5-6-12(18)11(8-10)17(19,20)21/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,25,26,29);3-8,13H,9-12H2,1-2H3,(H,23,24,25,26,29);4-10H,3H2,1-2H3,(H,24,27)(H,22,23,25,26,28);2-8H,1H3,(H,23,24,25,26,27).
What are the key properties of 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide?
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide has a molecular weight of 1571.50 g/mol, XLogP of 10.94, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(propanoylamino)benzamide;4-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158662044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158662044 — identifiers, structure, computed properties (public domain)
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