ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate

C13H13N5O5S — CID 15550323

IUPACethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ncccn1
InChIInChI=1S/C13H13N5O5S/c1-2-23-11(19)9-5-3-6-14-10(9)24(21,22)18-13(20)17-12-15-7-4-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17,18,20)
InChIKeyHMFWWXIREYMYAM-UHFFFAOYSA-N
MW351.34 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate

ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate (PubChem CID 15550323) has the molecular formula C13H13N5O5S and a molecular weight of 351.34 g/mol. Its IUPAC name is ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate
PubChem CID15550323
Molecular FormulaC13H13N5O5S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC Nameethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ncccn1
InChIInChI=1S/C13H13N5O5S/c1-2-23-11(19)9-5-3-6-14-10(9)24(21,22)18-13(20)17-12-15-7-4-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17,18,20)
InChIKeyHMFWWXIREYMYAM-UHFFFAOYSA-N
XLogP0.56
TPSA140.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate (CID 15550323) is ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ncccn1.
What is the InChIKey of ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate?
The InChIKey is HMFWWXIREYMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5S/c1-2-23-11(19)9-5-3-6-14-10(9)24(21,22)18-13(20)17-12-15-7-4-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17,18,20).
What are the key properties of ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate?
ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate has a molecular weight of 351.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 15550323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).