methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate

C21H15F3N2O3 — CID 139944293

IUPACmethyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccn2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O3/c1-29-20(28)15-5-4-7-16(26-19(27)17-6-2-3-12-25-17)18(15)13-8-10-14(11-9-13)21(22,23)24/h2-12H,1H3,(H,26,27)
InChIKeyNDRIBRIFCOWMTK-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.81
Rot. Bonds4

About methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate

methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate (PubChem CID 139944293) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
PubChem CID139944293
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC Namemethyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccn2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O3/c1-29-20(28)15-5-4-7-16(26-19(27)17-6-2-3-12-25-17)18(15)13-8-10-14(11-9-13)21(22,23)24/h2-12H,1H3,(H,26,27)
InChIKeyNDRIBRIFCOWMTK-UHFFFAOYSA-N
XLogP4.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate 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

methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
methyl 3-[[4-(2-amino-3-pyrimidin-2-ylpyrrolidin-1-yl)phenyl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]benzoate
CID 150871800
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]boranyl] pyridine-2-carboxylate
CID 58414064
methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
CID 133092068
2-[4-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
CID 151220476
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate (CID 139944293) is methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate is COC(=O)c1cccc(NC(=O)c2ccccn2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate?
The InChIKey is NDRIBRIFCOWMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c1-29-20(28)15-5-4-7-16(26-19(27)17-6-2-3-12-25-17)18(15)13-8-10-14(11-9-13)21(22,23)24/h2-12H,1H3,(H,26,27).
What are the key properties of methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate?
methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate has a molecular weight of 400.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 139944293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).