4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

C86H90BrClN8O13 — CID 158483894

About 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (PubChem CID 158483894) has the molecular formula C86H90BrClN8O13 and a molecular weight of 1559.07 g/mol. Its IUPAC name is 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• PubChem CID: 158483894
• Molecular Formula: C86H90BrClN8O13
• Molecular Weight: 1559.07 g/mol
• Exact Mass: 1556.55
• IUPAC Name: 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• SMILES: COc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccccn3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cc(Br)ccn3)C2=O)c(C)c1.Cc1cc(Cl)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cccc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O
• InChI: InChI=1S/C22H23BrN2O3.C22H24N2O4.C21H21ClN2O3.C21H22N2O3/c1-12-8-13(2)19(14(3)9-12)20-18(26)10-15(21(20)27)4-6-25-22(28)17-11-16(23)5-7-24-17;1-13-10-16(28-3)11-14(2)19(13)20-18(25)12-15(21(20)26)7-9-24-22(27)17-6-4-5-8-23-17;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;1-13-6-5-7-14(2)18(13)19-17(24)12-15(20(19)25)9-11-23-21(26)16-8-3-4-10-22-16/h5,7-9,11,15,20H,4,6,10H2,1-3H3,(H,25,28);4-6,8,10-11,15,20H,7,9,12H2,1-3H3,(H,24,27);3-5,7,9-10,14,19H,6,8,11H2,1-2H3,(H,24,27);3-8,10,15,19H,9,11-12H2,1-2H3,(H,23,26)
• InChIKey: HHVUQGDGIGSWGP-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 313.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.07
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (CID 158483894) is 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is COc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccccn3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cc(Br)ccn3)C2=O)c(C)c1.Cc1cc(Cl)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1cccc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.

What is the InChIKey of 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The InChIKey is HHVUQGDGIGSWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3.C22H24N2O4.C21H21ClN2O3.C21H22N2O3/c1-12-8-13(2)19(14(3)9-12)20-18(26)10-15(21(20)27)4-6-25-22(28)17-11-16(23)5-7-24-17;1-13-10-16(28-3)11-14(2)19(13)20-18(25)12-15(21(20)26)7-9-24-22(27)17-6-4-5-8-23-17;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;1-13-6-5-7-14(2)18(13)19-17(24)12-15(20(19)25)9-11-23-21(26)16-8-3-4-10-22-16/h5,7-9,11,15,20H,4,6,10H2,1-3H3,(H,25,28);4-6,8,10-11,15,20H,7,9,12H2,1-3H3,(H,24,27);3-5,7,9-10,14,19H,6,8,11H2,1-2H3,(H,24,27);3-8,10,15,19H,9,11-12H2,1-2H3,(H,23,26).

What are the key properties of 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide has a molecular weight of 1559.07 g/mol, XLogP of 12.77, 21 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-chloro-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(4-methoxy-2,6-dimethylphenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158483894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).