2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid

C20H16F3N3O3 — CID 59808196

IUPAC2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2ncccc2C(=O)O)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-11-10-14(18(27)25-17-13(19(28)29)6-5-9-24-17)12(2)26(11)16-8-4-3-7-15(16)20(21,22)23/h3-10H,1-2H3,(H,28,29)(H,24,25,27)
InChIKeyVAQUBZQURLAYCT-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.46
Rot. Bonds4

About 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid

2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 59808196) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID59808196
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)Nc2ncccc2C(=O)O)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-11-10-14(18(27)25-17-13(19(28)29)6-5-9-24-17)12(2)26(11)16-8-4-3-7-15(16)20(21,22)23/h3-10H,1-2H3,(H,28,29)(H,24,25,27)
InChIKeyVAQUBZQURLAYCT-UHFFFAOYSA-N
XLogP4.46
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]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

Niflumic Acid
CID 4488
Flunixin
CID 38081
Pf-04991532
CID 46181428
Metanixin
CID 10466908
Nixylic acid
CID 71827
Aurora A inhibitor-9
CID 134140427
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
2-(2,4,6-Trimethylanilino)pyridine-3-carboxylic acid
CID 1432582
2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
2-((2,4-Dimethylphenyl)amino)pyridine-3-carboxylic acid
CID 1174126
2-[(3-Fluorophenyl)amino]pyridine-3-carboxylic acid
CID 1432603

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid (CID 59808196) is 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)Nc2ncccc2C(=O)O)c(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is VAQUBZQURLAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11-10-14(18(27)25-17-13(19(28)29)6-5-9-24-17)12(2)26(11)16-8-4-3-7-15(16)20(21,22)23/h3-10H,1-2H3,(H,28,29)(H,24,25,27).
What are the key properties of 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid?
2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 403.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 59808196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).