6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide

C85H88BrCl3FN11O12 — CID 159739788

IUPAC6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cnc(Cl)cn3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Cl)n3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nc(Br)ccc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nccnc3Cl)C2=O)c(C)c1
InChIInChI=1S/C22H22BrFN2O3.3C21H22ClN3O3/c1-11-8-12(2)18(13(3)9-11)19-16(27)10-14(21(19)28)6-7-25-22(29)20-15(24)4-5-17(23)26-20;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-24-21(28)15-9-23-10-17(22)25-15;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-23-21(28)15-9-25-17(22)10-24-15;1-11-8-12(2)16(13(3)9-11)17-15(26)10-14(19(17)27)4-5-25-21(28)18-20(22)24-7-6-23-18/h4-5,8-9,14,19H,6-7,10H2,1-3H3,(H,25,29);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,24,28);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,23,28);6-9,14,17H,4-5,10H2,1-3H3,(H,25,28)
InChIKeyNCHPBSIVKXIHAC-UHFFFAOYSA-N
MW1660.96 g/mol
LogP13.32
Rot. Bonds20

About 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide

6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide (PubChem CID 159739788) has the molecular formula C85H88BrCl3FN11O12 and a molecular weight of 1660.96 g/mol. Its IUPAC name is 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide
PubChem CID159739788
Molecular FormulaC85H88BrCl3FN11O12
Molecular Weight1660.96 g/mol
Exact Mass1657.48
IUPAC Name6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cnc(Cl)cn3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Cl)n3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nc(Br)ccc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nccnc3Cl)C2=O)c(C)c1
InChIInChI=1S/C22H22BrFN2O3.3C21H22ClN3O3/c1-11-8-12(2)18(13(3)9-11)19-16(27)10-14(21(19)28)6-7-25-22(29)20-15(24)4-5-17(23)26-20;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-24-21(28)15-9-23-10-17(22)25-15;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-23-21(28)15-9-25-17(22)10-24-15;1-11-8-12(2)16(13(3)9-11)17-15(26)10-14(19(17)27)4-5-25-21(28)18-20(22)24-7-6-23-18/h4-5,8-9,14,19H,6-7,10H2,1-3H3,(H,25,29);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,24,28);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,23,28);6-9,14,17H,4-5,10H2,1-3H3,(H,25,28)
InChIKeyNCHPBSIVKXIHAC-UHFFFAOYSA-N
XLogP13.32
TPSA343.19 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.96
LogP ≤ 513.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide (CID 159739788) is 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide is Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cnc(Cl)cn3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Cl)n3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nc(Br)ccc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3nccnc3Cl)C2=O)c(C)c1.
What is the InChIKey of 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is NCHPBSIVKXIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFN2O3.3C21H22ClN3O3/c1-11-8-12(2)18(13(3)9-11)19-16(27)10-14(21(19)28)6-7-25-22(29)20-15(24)4-5-17(23)26-20;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-24-21(28)15-9-23-10-17(22)25-15;1-11-6-12(2)18(13(3)7-11)19-16(26)8-14(20(19)27)4-5-23-21(28)15-9-25-17(22)10-24-15;1-11-8-12(2)16(13(3)9-11)17-15(26)10-14(19(17)27)4-5-25-21(28)18-20(22)24-7-6-23-18/h4-5,8-9,14,19H,6-7,10H2,1-3H3,(H,25,29);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,24,28);6-7,9-10,14,19H,4-5,8H2,1-3H3,(H,23,28);6-9,14,17H,4-5,10H2,1-3H3,(H,25,28).
What are the key properties of 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide?
6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 1660.96 g/mol, XLogP of 13.32, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-3-fluoropyridine-2-carboxamide;3-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide;6-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 159739788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).