methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate

C16H13F3N2O3 — CID 60541422

IUPACmethyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N2O3/c1-9-6-7-10(8-11(9)16(17,18)19)20-14(22)12-4-3-5-13(21-12)15(23)24-2/h3-8H,1-2H3,(H,20,22)
InChIKeyMWIFCGJMSUFHMF-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.45
Rot. Bonds3

About methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate

methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 60541422) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
PubChem CID60541422
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Namemethyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N2O3/c1-9-6-7-10(8-11(9)16(17,18)19)20-14(22)12-4-3-5-13(21-12)15(23)24-2/h3-8H,1-2H3,(H,20,22)
InChIKeyMWIFCGJMSUFHMF-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

methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 64854382
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate (CID 60541422) is methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1.
What is the InChIKey of methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is MWIFCGJMSUFHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-9-6-7-10(8-11(9)16(17,18)19)20-14(22)12-4-3-5-13(21-12)15(23)24-2/h3-8H,1-2H3,(H,20,22).
What are the key properties of methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate?
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-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 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 60541422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).