N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

C70H67BrClF4N7O11 — CID 158262526

About N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (PubChem CID 158262526) has the molecular formula C70H67BrClF4N7O11 and a molecular weight of 1373.69 g/mol. Its IUPAC name is N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• PubChem CID: 158262526
• Molecular Formula: C70H67BrClF4N7O11
• Molecular Weight: 1373.69 g/mol
• Exact Mass: 1371.37
• IUPAC Name: N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Br)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cc(OCC(F)(F)F)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cc(Oc2ncc(Cl)cc2F)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O
• InChI: InChI=1S/C26H23ClFN3O4.C23H23F3N2O4.C21H21BrN2O3/c1-14-9-18(35-26-19(28)12-17(27)13-31-26)10-15(2)22(14)23-21(32)11-16(24(23)33)6-8-30-25(34)20-5-3-4-7-29-20;1-13-9-16(32-12-23(24,25)26)10-14(2)19(13)20-18(29)11-15(21(20)30)6-8-28-22(31)17-5-3-4-7-27-17;1-12-9-15(22)10-13(2)18(12)19-17(25)11-14(20(19)26)6-8-24-21(27)16-5-3-4-7-23-16/h3-5,7,9-10,12-13,16,23H,6,8,11H2,1-2H3,(H,30,34);3-5,7,9-10,15,20H,6,8,11-12H2,1-2H3,(H,28,31);3-5,7,9-10,14,19H,6,8,11H2,1-2H3,(H,24,27)
• InChIKey: GIAUDUUCUHWEHC-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 259.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.69
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (CID 158262526) is N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is Cc1cc(Br)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cc(OCC(F)(F)F)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cc(Oc2ncc(Cl)cc2F)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.

What is the InChIKey of N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The InChIKey is GIAUDUUCUHWEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O4.C23H23F3N2O4.C21H21BrN2O3/c1-14-9-18(35-26-19(28)12-17(27)13-31-26)10-15(2)22(14)23-21(32)11-16(24(23)33)6-8-30-25(34)20-5-3-4-7-29-20;1-13-9-16(32-12-23(24,25)26)10-14(2)19(13)20-18(29)11-15(21(20)30)6-8-28-22(31)17-5-3-4-7-27-17;1-12-9-15(22)10-13(2)18(12)19-17(25)11-14(20(19)26)6-8-24-21(27)16-5-3-4-7-23-16/h3-5,7,9-10,12-13,16,23H,6,8,11H2,1-2H3,(H,30,34);3-5,7,9-10,15,20H,6,8,11-12H2,1-2H3,(H,28,31);3-5,7,9-10,14,19H,6,8,11H2,1-2H3,(H,24,27).

What are the key properties of N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide has a molecular weight of 1373.69 g/mol, XLogP of 11.96, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-bromo-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158262526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).