5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione

C97H98ClF2N7O12 — CID 158231142

IUPAC5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione
SMILESCC#Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(F)cc3)C2=O)c(C)c1.Cc1cc(-c2ccc(F)cn2)cc(C)c1C1C(=O)CC(CCCC(=O)c2ccccn2)C1=O.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(Cl)cn3)C2=O)c(C)c1.Cc1ccnc(C(=O)NCCC2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)c1
InChIInChI=1S/C27H25FN2O3.C25H24FNO3.C23H26N2O3.C22H23ClN2O3/c1-16-12-19(21-10-9-20(28)15-30-21)13-17(2)25(16)26-24(32)14-18(27(26)33)6-5-8-23(31)22-7-3-4-11-29-22;1-4-5-17-12-15(2)22(16(3)13-17)23-21(28)14-19(24(23)29)10-11-27-25(30)18-6-8-20(26)9-7-18;1-13-5-7-24-18(11-13)23(28)25-8-6-17-12-19(26)21(22(17)27)20-15(3)9-14(2)10-16(20)4;1-12-8-13(2)19(14(3)9-12)20-18(26)10-15(21(20)27)6-7-24-22(28)17-5-4-16(23)11-25-17/h3-4,7,9-13,15,18,26H,5-6,8,14H2,1-2H3;6-9,12-13,19,23H,10-11,14H2,1-3H3,(H,27,30);5,7,9-11,17,21H,6,8,12H2,1-4H3,(H,25,28);4-5,8-9,11,15,20H,6-7,10H2,1-3H3,(H,24,28)
InChIKeyGEJYIYNQIWRHIS-UHFFFAOYSA-N
MW1627.34 g/mol
LogP16.17
Rot. Bonds22

About 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione

5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione (PubChem CID 158231142) has the molecular formula C97H98ClF2N7O12 and a molecular weight of 1627.34 g/mol. Its IUPAC name is 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione
PubChem CID158231142
Molecular FormulaC97H98ClF2N7O12
Molecular Weight1627.34 g/mol
Exact Mass1625.69
IUPAC Name5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione
SMILESCC#Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(F)cc3)C2=O)c(C)c1.Cc1cc(-c2ccc(F)cn2)cc(C)c1C1C(=O)CC(CCCC(=O)c2ccccn2)C1=O.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(Cl)cn3)C2=O)c(C)c1.Cc1ccnc(C(=O)NCCC2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)c1
InChIInChI=1S/C27H25FN2O3.C25H24FNO3.C23H26N2O3.C22H23ClN2O3/c1-16-12-19(21-10-9-20(28)15-30-21)13-17(2)25(16)26-24(32)14-18(27(26)33)6-5-8-23(31)22-7-3-4-11-29-22;1-4-5-17-12-15(2)22(16(3)13-17)23-21(28)14-19(24(23)29)10-11-27-25(30)18-6-8-20(26)9-7-18;1-13-5-7-24-18(11-13)23(28)25-8-6-17-12-19(26)21(22(17)27)20-15(3)9-14(2)10-16(20)4;1-12-8-13(2)19(14(3)9-12)20-18(26)10-15(21(20)27)6-7-24-22(28)17-5-4-16(23)11-25-17/h3-4,7,9-13,15,18,26H,5-6,8,14H2,1-2H3;6-9,12-13,19,23H,10-11,14H2,1-3H3,(H,27,30);5,7,9-11,17,21H,6,8,12H2,1-4H3,(H,25,28);4-5,8-9,11,15,20H,6-7,10H2,1-3H3,(H,24,28)
InChIKeyGEJYIYNQIWRHIS-UHFFFAOYSA-N
XLogP16.17
TPSA292.49 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.34
LogP ≤ 516.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione?
The IUPAC name of 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione (CID 158231142) is 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione.
What is the SMILES notation for 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione?
The canonical SMILES for 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione is CC#Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(F)cc3)C2=O)c(C)c1.Cc1cc(-c2ccc(F)cn2)cc(C)c1C1C(=O)CC(CCCC(=O)c2ccccn2)C1=O.Cc1cc(C)c(C2C(=O)CC(CCNC(=O)c3ccc(Cl)cn3)C2=O)c(C)c1.Cc1ccnc(C(=O)NCCC2CC(=O)C(c3c(C)cc(C)cc3C)C2=O)c1.
What is the InChIKey of 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione?
The InChIKey is GEJYIYNQIWRHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3.C25H24FNO3.C23H26N2O3.C22H23ClN2O3/c1-16-12-19(21-10-9-20(28)15-30-21)13-17(2)25(16)26-24(32)14-18(27(26)33)6-5-8-23(31)22-7-3-4-11-29-22;1-4-5-17-12-15(2)22(16(3)13-17)23-21(28)14-19(24(23)29)10-11-27-25(30)18-6-8-20(26)9-7-18;1-13-5-7-24-18(11-13)23(28)25-8-6-17-12-19(26)21(22(17)27)20-15(3)9-14(2)10-16(20)4;1-12-8-13(2)19(14(3)9-12)20-18(26)10-15(21(20)27)6-7-24-22(28)17-5-4-16(23)11-25-17/h3-4,7,9-13,15,18,26H,5-6,8,14H2,1-2H3;6-9,12-13,19,23H,10-11,14H2,1-3H3,(H,27,30);5,7,9-11,17,21H,6,8,12H2,1-4H3,(H,25,28);4-5,8-9,11,15,20H,6-7,10H2,1-3H3,(H,24,28).
What are the key properties of 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione?
5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione has a molecular weight of 1627.34 g/mol, XLogP of 16.17, 22 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-2,4-dioxocyclopentyl]ethyl]-4-fluorobenzamide;N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-4-methylpyridine-2-carboxamide;2-[4-(5-fluoro-2-pyridinyl)-2,6-dimethylphenyl]-4-(4-oxo-4-pyridin-2-ylbutyl)cyclopentane-1,3-dione is sourced from PubChem (CID 158231142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).