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

C10H13N5O5S — CID 139594706

IUPAC2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)NC(N)=O
InChIInChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)
InChIKeyDGJDFJVBNQLVJW-UHFFFAOYSA-N
MW315.31 g/mol
LogP-1.15
Rot. Bonds3

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

2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 139594706) has the molecular formula C10H13N5O5S and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID139594706
Molecular FormulaC10H13N5O5S
Molecular Weight315.31 g/mol
Exact Mass315.06
IUPAC Name2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)NC(N)=O
InChIInChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)
InChIKeyDGJDFJVBNQLVJW-UHFFFAOYSA-N
XLogP-1.15
TPSA151.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
Nicosulfuron-TP AUSN
CID 132990948
2-(N-((4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
CID 139595163
(4-Propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719649
N-(benzenesulfonamidocarbamothioyl)pyridine-3-carboxamide
CID 1996014
N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 701256
N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
CID 44532283
(4-Ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719637
N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 1500232
N-(phenylsulfonyl)pyridine-3-carboxamide
CID 1500233
2-(4-Methylsulfonylpiperazine-1-carbonyl)-7-oxido-[1,2]thiazolo[5,4-b]pyridin-7-ium-3-one
CID 134146234

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (CID 139594706) is 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)NC(N)=O.
What is the InChIKey of 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is DGJDFJVBNQLVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18).
What are the key properties of 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 315.31 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 139594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).