6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C23H14F3N3O4S — CID 123678096

IUPAC6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3C=C3SC(=O)NC3=O)cc2)n1
InChIInChI=1S/C23H14F3N3O4S/c24-23(25,26)14-6-9-18(13(10-14)11-19-21(31)29-22(32)34-19)33-15-7-4-12(5-8-15)16-2-1-3-17(28-16)20(27)30/h1-11H,(H2,27,30)(H,29,31,32)
InChIKeyFJEPIXVOCOPAPV-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.98
Rot. Bonds5

About 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 123678096) has the molecular formula C23H14F3N3O4S and a molecular weight of 485.44 g/mol. Its IUPAC name is 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID123678096
Molecular FormulaC23H14F3N3O4S
Molecular Weight485.44 g/mol
Exact Mass485.07
IUPAC Name6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3C=C3SC(=O)NC3=O)cc2)n1
InChIInChI=1S/C23H14F3N3O4S/c24-23(25,26)14-6-9-18(13(10-14)11-19-21(31)29-22(32)34-19)33-15-7-4-12(5-8-15)16-2-1-3-17(28-16)20(27)30/h1-11H,(H2,27,30)(H,29,31,32)
InChIKeyFJEPIXVOCOPAPV-UHFFFAOYSA-N
XLogP4.98
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[2-[(dimethylamino)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275713
6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275236
(5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58591643
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154812350
6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
CID 59501986
N-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]acetamide
CID 72616880
6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 160561795
(5Z)-5-[[4-[2-bromo-4-(trifluoromethyl)phenoxy]-3-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 88901469
(5E)-5-[[2-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87386998
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123423275
(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953768

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 123678096) is 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3C=C3SC(=O)NC3=O)cc2)n1.
What is the InChIKey of 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is FJEPIXVOCOPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O4S/c24-23(25,26)14-6-9-18(13(10-14)11-19-21(31)29-22(32)34-19)33-15-7-4-12(5-8-15)16-2-1-3-17(28-16)20(27)30/h1-11H,(H2,27,30)(H,29,31,32).
What are the key properties of 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 123678096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).