2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide

C9H12N4O4S — CID 19972117

IUPAC2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C9H12N4O4S/c1-13(2)8(14)6-4-3-5-11-7(6)18(16,17)12-9(10)15/h3-5H,1-2H3,(H3,10,12,15)
InChIKeyQFPQFCCZPJMKIZ-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.86
Rot. Bonds3

About 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide

2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 19972117) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID19972117
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C9H12N4O4S/c1-13(2)8(14)6-4-3-5-11-7(6)18(16,17)12-9(10)15/h3-5H,1-2H3,(H3,10,12,15)
InChIKeyQFPQFCCZPJMKIZ-UHFFFAOYSA-N
XLogP-0.86
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (CID 19972117) is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1S(=O)(=O)NC(N)=O.
What is the InChIKey of 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QFPQFCCZPJMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c1-13(2)8(14)6-4-3-5-11-7(6)18(16,17)12-9(10)15/h3-5H,1-2H3,(H3,10,12,15).
What are the key properties of 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 272.29 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 19972117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).