methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate

C15H14F3N5O7S — CID 23109792

IUPACmethyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)22-14(21-9)23(13(19)25)31(26,27)11-7(12(24)30-3)4-5-8(20-11)15(16,17)18/h4-6H,1-3H3,(H2,19,25)
InChIKeyVHFMXSPPXLNCFK-UHFFFAOYSA-N
MW465.37 g/mol
LogP0.97
Rot. Bonds6

About methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 23109792) has the molecular formula C15H14F3N5O7S and a molecular weight of 465.37 g/mol. Its IUPAC name is methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID23109792
Molecular FormulaC15H14F3N5O7S
Molecular Weight465.37 g/mol
Exact Mass465.06
IUPAC Namemethyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)22-14(21-9)23(13(19)25)31(26,27)11-7(12(24)30-3)4-5-8(20-11)15(16,17)18/h4-6H,1-3H3,(H2,19,25)
InChIKeyVHFMXSPPXLNCFK-UHFFFAOYSA-N
XLogP0.97
TPSA163.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
CID 151729187
[(4,6-dimethoxypyrimidin-2-yl)-[3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]sulfamic acid
CID 100975563
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
CID 141017189
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]sulfamoyl]urea
CID 67618462
methyl 2-(dimethylcarbamothioyloxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 54373048
methyl 3-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-5-chloro-2-methyl-1H-pyrazole-5-carboxylate
CID 67417073
methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523844
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166454638
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 21251115
methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 23109792) is methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is VHFMXSPPXLNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)22-14(21-9)23(13(19)25)31(26,27)11-7(12(24)30-3)4-5-8(20-11)15(16,17)18/h4-6H,1-3H3,(H2,19,25).
What are the key properties of methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 465.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 23109792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).