2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
C138H141Cl6F3N12O19 — CID 158871337
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158871337) has the molecular formula C138H141Cl6F3N12O19 and a molecular weight of 2541.42 g/mol. Its IUPAC name is 2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158871337 |
| Molecular Formula | C138H141Cl6F3N12O19 |
| Molecular Weight | 2541.42 g/mol |
| Exact Mass | 2536.85 |
| IUPAC Name | 2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-methoxypyridine-4-carboxamide;2-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;2,6-dichloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-4-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]quinoline-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | COc1cc(C(=O)NCCC2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)cc(Cl)n1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cc(Cl)nc(Cl)c3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(C(F)(F)F)nc3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(Cl)nc3Cl)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc4ccccc4n3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3Cl)C2=O)c(C)c1 |
| InChI | InChI=1S/C26H26N2O3.C23H25ClN2O4.C23H23F3N2O3.2C22H22Cl2N2O3.C22H23ClN2O3/c1-15-12-16(2)23(17(3)13-15)24-22(29)14-19(25(24)30)10-11-27-26(31)21-9-8-18-6-4-5-7-20(18)28-21;1-12-7-13(2)20(14(3)8-12)21-17(27)9-15(22(21)28)5-6-25-23(29)16-10-18(24)26-19(11-16)30-4;1-12-8-13(2)19(14(3)9-12)20-17(29)10-15(21(20)30)6-7-27-22(31)16-4-5-18(28-11-16)23(24,25)26;1-11-6-12(2)19(13(3)7-11)20-16(27)8-14(21(20)28)4-5-25-22(29)15-9-17(23)26-18(24)10-15;1-11-8-12(2)18(13(3)9-11)19-16(27)10-14(20(19)28)6-7-25-22(29)15-4-5-17(23)26-21(15)24;1-12-9-13(2)18(14(3)10-12)19-17(26)11-15(20(19)27)6-8-25-22(28)16-5-4-7-24-21(16)23/h4-9,12-13,19,24H,10-11,14H2,1-3H3,(H,27,31);7-8,10-11,15,21H,5-6,9H2,1-4H3,(H,25,29);4-5,8-9,11,15,20H,6-7,10H2,1-3H3,(H,27,31);6-7,9-10,14,20H,4-5,8H2,1-3H3,(H,25,29);4-5,8-9,14,19H,6-7,10H2,1-3H3,(H,25,29);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,25,28) |
| InChIKey | JBWPPNGYSUQMBZ-UHFFFAOYSA-N |
| XLogP | 24.51 |
| TPSA | 466.01 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2541.42 |
| LogP ≤ 5 | 24.51 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 158871337 — identifiers, structure, computed properties (public domain)
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