5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C20H15F3N2O4S — CID 70304322

IUPAC5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(S(=O)c2ccc(N)cc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O4S/c1-11-17(30(29)15-7-5-13(24)6-8-15)10-16(19(27)28)18(26)25(11)14-4-2-3-12(9-14)20(21,22)23/h2-10H,24H2,1H3,(H,27,28)
InChIKeyMEACRCVKHLYMLX-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.61
Rot. Bonds4

About 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 70304322) has the molecular formula C20H15F3N2O4S and a molecular weight of 436.41 g/mol. Its IUPAC name is 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID70304322
Molecular FormulaC20H15F3N2O4S
Molecular Weight436.41 g/mol
Exact Mass436.07
IUPAC Name5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(S(=O)c2ccc(N)cc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O4S/c1-11-17(30(29)15-7-5-13(24)6-8-15)10-16(19(27)28)18(26)25(11)14-4-2-3-12(9-14)20(21,22)23/h2-10H,24H2,1H3,(H,27,28)
InChIKeyMEACRCVKHLYMLX-UHFFFAOYSA-N
XLogP3.61
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid 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

5-hydroxy-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 70267707
5-bromo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 143779393
5-(4-cyanophenyl)sulfinyl-N-cyclopropyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847742
5-ethenyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 141151685
N-[3-[[4,6-bis[3-[[5-(4-fluorophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]propylamino]-1,3,5-triazin-2-yl]amino]propyl]-5-(4-fluorophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 58097424
5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 90701309
5-(5-bromopyrimidin-2-yl)sulfinyl-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848090
5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-N-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 129152554
5-(4-cyanophenyl)sulfinyl-N-[2-[4-[7-[4-[2-[[5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]piperazin-1-yl]-4-oxoheptyl]piperazin-1-yl]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;5-(4-cyanophenyl)sulfinyl-N-[2-[4-[2-[4-[4-[5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-4-oxobutyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158752555
6-acetyl-3-oxo-2-[3-(trifluoromethyl)phenyl]pyridazine-4-carboxylic acid
CID 100785698
2-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 82362503
5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 58097425

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 70304322) is 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1c(S(=O)c2ccc(N)cc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is MEACRCVKHLYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4S/c1-11-17(30(29)15-7-5-13(24)6-8-15)10-16(19(27)28)18(26)25(11)14-4-2-3-12(9-14)20(21,22)23/h2-10H,24H2,1H3,(H,27,28).
What are the key properties of 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 436.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70304322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).