methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate

C16H13F3N2O3 — CID 170250393

IUPACmethyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C16H13F3N2O3/c1-9-7-13(20-8-11(9)15(23)24-2)21-14(22)10-5-3-4-6-12(10)16(17,18)19/h3-8H,1-2H3,(H,20,21,22)
InChIKeySKZFZVVOBSDTIU-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.45
Rot. Bonds3

About methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate

methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate (PubChem CID 170250393) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
PubChem CID170250393
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C16H13F3N2O3/c1-9-7-13(20-8-11(9)15(23)24-2)21-14(22)10-5-3-4-6-12(10)16(17,18)19/h3-8H,1-2H3,(H,20,21,22)
InChIKeySKZFZVVOBSDTIU-UHFFFAOYSA-N
XLogP3.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
N-(4,6-dimethylpyrimidin-2-yl)-2-(trifluoromethyl)benzamide
CID 108808047
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate (CID 170250393) is methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate is COC(=O)c1cnc(NC(=O)c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate?
The InChIKey is SKZFZVVOBSDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-9-7-13(20-8-11(9)15(23)24-2)21-14(22)10-5-3-4-6-12(10)16(17,18)19/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate?
methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate has a molecular weight of 338.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 170250393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).