2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide

C16H20N6O6S — CID 14346881

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H20N6O6S/c1-5-22(2)14(23)10-7-6-8-17-13(10)29(25,26)21-16(24)20-15-18-11(27-3)9-12(19-15)28-4/h6-9H,5H2,1-4H3,(H2,18,19,20,21,24)
InChIKeyBYUFJNILVDHKLS-UHFFFAOYSA-N
MW424.44 g/mol
LogP0.49
Rot. Bonds7

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

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide (PubChem CID 14346881) has the molecular formula C16H20N6O6S and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide
PubChem CID14346881
Molecular FormulaC16H20N6O6S
Molecular Weight424.44 g/mol
Exact Mass424.12
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H20N6O6S/c1-5-22(2)14(23)10-7-6-8-17-13(10)29(25,26)21-16(24)20-15-18-11(27-3)9-12(19-15)28-4/h6-9H,5H2,1-4H3,(H2,18,19,20,21,24)
InChIKeyBYUFJNILVDHKLS-UHFFFAOYSA-N
XLogP0.49
TPSA152.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide (CID 14346881) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide is CCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide?
The InChIKey is BYUFJNILVDHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O6S/c1-5-22(2)14(23)10-7-6-8-17-13(10)29(25,26)21-16(24)20-15-18-11(27-3)9-12(19-15)28-4/h6-9H,5H2,1-4H3,(H2,18,19,20,21,24).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 14346881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).