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

C90H91BrClF4N9O12 — CID 159710992

IUPAC5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3C(F)(F)F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Br)c3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ncc(C#N)cc3Cl)C2=O)c(C)c1
InChIInChI=1S/C23H22ClN3O3.C23H23F3N2O3.C22H23BrN2O3.C22H23FN2O3/c1-12-6-13(2)19(14(3)7-12)20-18(28)9-16(22(20)29)4-5-26-23(30)21-17(24)8-15(10-25)11-27-21;1-12-9-13(2)18(14(3)10-12)19-17(29)11-15(20(19)30)6-8-28-22(31)16-5-4-7-27-21(16)23(24,25)26;1-12-6-13(2)19(14(3)7-12)20-18(26)9-15(21(20)27)4-5-25-22(28)16-8-17(23)11-24-10-16;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/h6-8,11,16,20H,4-5,9H2,1-3H3,(H,26,30);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,28,31);6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,25,28);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,25,28)
InChIKeyMYVIFMKRRBLSEX-UHFFFAOYSA-N
MW1682.12 g/mol
LogP14.72
Rot. Bonds20

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

5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159710992) has the molecular formula C90H91BrClF4N9O12 and a molecular weight of 1682.12 g/mol. Its IUPAC name is 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID159710992
Molecular FormulaC90H91BrClF4N9O12
Molecular Weight1682.12 g/mol
Exact Mass1679.56
IUPAC Name5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3C(F)(F)F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Br)c3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ncc(C#N)cc3Cl)C2=O)c(C)c1
InChIInChI=1S/C23H22ClN3O3.C23H23F3N2O3.C22H23BrN2O3.C22H23FN2O3/c1-12-6-13(2)19(14(3)7-12)20-18(28)9-16(22(20)29)4-5-26-23(30)21-17(24)8-15(10-25)11-27-21;1-12-9-13(2)18(14(3)10-12)19-17(29)11-15(20(19)30)6-8-28-22(31)16-5-4-7-27-21(16)23(24,25)26;1-12-6-13(2)19(14(3)7-12)20-18(26)9-15(21(20)27)4-5-25-22(28)16-8-17(23)11-24-10-16;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/h6-8,11,16,20H,4-5,9H2,1-3H3,(H,26,30);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,28,31);6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,25,28);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,25,28)
InChIKeyMYVIFMKRRBLSEX-UHFFFAOYSA-N
XLogP14.72
TPSA328.31 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.12
LogP ≤ 514.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 159710992) is 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3C(F)(F)F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cccnc3F)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3cncc(Br)c3)C2=O)c(C)c1.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ncc(C#N)cc3Cl)C2=O)c(C)c1.
What is the InChIKey of 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MYVIFMKRRBLSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3.C23H23F3N2O3.C22H23BrN2O3.C22H23FN2O3/c1-12-6-13(2)19(14(3)7-12)20-18(28)9-16(22(20)29)4-5-26-23(30)21-17(24)8-15(10-25)11-27-21;1-12-9-13(2)18(14(3)10-12)19-17(29)11-15(20(19)30)6-8-28-22(31)16-5-4-7-27-21(16)23(24,25)26;1-12-6-13(2)19(14(3)7-12)20-18(26)9-15(21(20)27)4-5-25-22(28)16-8-17(23)11-24-10-16;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/h6-8,11,16,20H,4-5,9H2,1-3H3,(H,26,30);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,28,31);6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,25,28);4-5,7,9-10,15,19H,6,8,11H2,1-3H3,(H,25,28).
What are the key properties of 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1682.12 g/mol, XLogP of 14.72, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-3-carboxamide;3-chloro-5-cyano-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-fluoropyridine-3-carboxamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159710992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).