3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide

C15H20N6O6S — CID 23168471

IUPAC3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(C(=O)N(C)C)C=CC=NC2S(N)(=O)=O)n1
InChIInChI=1S/C15H20N6O6S/c1-21(2)13(23)15(6-5-7-17-12(15)28(16,24)25)11(22)20-14-18-9(26-3)8-10(19-14)27-4/h5-8,12H,1-4H3,(H2,16,24,25)(H,18,19,20,22)
InChIKeyMZBFOWSISOKGMA-UHFFFAOYSA-N
MW412.43 g/mol
LogP-1.24
Rot. Bonds6

About 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide

3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide (PubChem CID 23168471) has the molecular formula C15H20N6O6S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide
PubChem CID23168471
Molecular FormulaC15H20N6O6S
Molecular Weight412.43 g/mol
Exact Mass412.12
IUPAC Name3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide
SMILESCOc1cc(OC)nc(NC(=O)C2(C(=O)N(C)C)C=CC=NC2S(N)(=O)=O)n1
InChIInChI=1S/C15H20N6O6S/c1-21(2)13(23)15(6-5-7-17-12(15)28(16,24)25)11(22)20-14-18-9(26-3)8-10(19-14)27-4/h5-8,12H,1-4H3,(H2,16,24,25)(H,18,19,20,22)
InChIKeyMZBFOWSISOKGMA-UHFFFAOYSA-N
XLogP-1.24
TPSA166.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide?
The IUPAC name of 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide (CID 23168471) is 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide.
What is the SMILES notation for 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide?
The canonical SMILES for 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide is COc1cc(OC)nc(NC(=O)C2(C(=O)N(C)C)C=CC=NC2S(N)(=O)=O)n1.
What is the InChIKey of 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide?
The InChIKey is MZBFOWSISOKGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O6S/c1-21(2)13(23)15(6-5-7-17-12(15)28(16,24)25)11(22)20-14-18-9(26-3)8-10(19-14)27-4/h5-8,12H,1-4H3,(H2,16,24,25)(H,18,19,20,22).
What are the key properties of 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide?
3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide has a molecular weight of 412.43 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4,6-dimethoxypyrimidin-2-yl)-3-N',3-N'-dimethyl-2-sulfamoyl-2H-pyridine-3,3-dicarboxamide is sourced from PubChem (CID 23168471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).