6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C16H18F2N6O6S — CID 14458347

IUPAC6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(C(F)F)ccc2C(=O)N(C)C)n1
InChIInChI=1S/C16H18F2N6O6S/c1-24(2)14(25)8-5-6-9(12(17)18)19-13(8)31(27,28)23-16(26)22-15-20-10(29-3)7-11(21-15)30-4/h5-7,12H,1-4H3,(H2,20,21,22,23,26)
InChIKeyWDJMOVFRSYGFQJ-UHFFFAOYSA-N
MW460.42 g/mol
LogP1.04
Rot. Bonds7

About 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 14458347) has the molecular formula C16H18F2N6O6S and a molecular weight of 460.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID14458347
Molecular FormulaC16H18F2N6O6S
Molecular Weight460.42 g/mol
Exact Mass460.10
IUPAC Name6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(C(F)F)ccc2C(=O)N(C)C)n1
InChIInChI=1S/C16H18F2N6O6S/c1-24(2)14(25)8-5-6-9(12(17)18)19-13(8)31(27,28)23-16(26)22-15-20-10(29-3)7-11(21-15)30-4/h5-7,12H,1-4H3,(H2,20,21,22,23,26)
InChIKeyWDJMOVFRSYGFQJ-UHFFFAOYSA-N
XLogP1.04
TPSA152.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 14458347) is 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(C(F)F)ccc2C(=O)N(C)C)n1.
What is the InChIKey of 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is WDJMOVFRSYGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O6S/c1-24(2)14(25)8-5-6-9(12(17)18)19-13(8)31(27,28)23-16(26)22-15-20-10(29-3)7-11(21-15)30-4/h5-7,12H,1-4H3,(H2,20,21,22,23,26).
What are the key properties of 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 14458347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).