4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide

C19H17F3N4O3S — CID 54582434

IUPAC4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H17F3N4O3S/c1-18(2)16(28)26(12-3-5-13(6-4-12)30-19(20,21)22)17(29)25(18)10-11-7-8-24-14(9-11)15(23)27/h3-9H,10H2,1-2H3,(H2,23,27)
InChIKeyJLIDRJHOEBMXLP-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.54
Rot. Bonds5

About 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide

4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 54582434) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID54582434
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(C(N)=O)c1
InChIInChI=1S/C19H17F3N4O3S/c1-18(2)16(28)26(12-3-5-13(6-4-12)30-19(20,21)22)17(29)25(18)10-11-7-8-24-14(9-11)15(23)27/h3-9H,10H2,1-2H3,(H2,23,27)
InChIKeyJLIDRJHOEBMXLP-UHFFFAOYSA-N
XLogP3.54
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-{4-[5,5-dimethyl-2,4-dioxo-3-(4-trifluoromethylsulfanylphenyl)imidazolidin-1-ylmethyl]pyrid-2-yl}acetamide
CID 52918127
1-(2-Chloropyrid-4-ylmethyl)-5,5-dimethyl-3-(4-trifluoromethylsulfanylphenyl)imidazolidine-2,4-dione
CID 54581424
1-(2-Aminopyrid-4-yl-methyl)-5,5-dimethyl-3-(4-trifluoromethylsulfanylphenyl)imidazolidine-2,4-dione
CID 54581425
1-((2-Ethylpyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54582435
1-((2-(Ethylamino)pyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54582436
1-((2-(Isopropylamino)pyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54584369
5,5-Dimethyl-1-(pyridin-4-ylmethyl)-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54586287
4-((5,5-dimethyl-2,4-dioxo-3-(4-(trifluoromethylthio)phenyl)imidazolidin-1-yl)methyl)-N-methylpicolinamide
CID 54586291
5,5-Dimethyl-1-((2-(methylamino)pyridin-4-yl)methyl)-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54586292
(5S)-5-methyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 10346810
1-((2-(Dimethylamino)pyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54583415
5,5-Dimethyl-1-((2-(phenylamino)pyridin-4-yl)methyl)-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54586289

Frequently Asked Questions

What is the IUPAC name of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide (CID 54582434) is 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide is CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is JLIDRJHOEBMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-18(2)16(28)26(12-3-5-13(6-4-12)30-19(20,21)22)17(29)25(18)10-11-7-8-24-14(9-11)15(23)27/h3-9H,10H2,1-2H3,(H2,23,27).
What are the key properties of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide?
4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 54582434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).