2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C15H18N6O4S — CID 57169324

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C15H18N6O4S/c1-9-8-10(2)18-14(17-9)19-15(23)20-26(24,25)12-11(6-5-7-16-12)13(22)21(3)4/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyKLSGPUYORTWTLH-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.70
Rot. Bonds4

About 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 57169324) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID57169324
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C15H18N6O4S/c1-9-8-10(2)18-14(17-9)19-15(23)20-26(24,25)12-11(6-5-7-16-12)13(22)21(3)4/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyKLSGPUYORTWTLH-UHFFFAOYSA-N
XLogP0.70
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

Nicosulfuron
CID 73281
2-((carbamoylcarbamoyl)sulfamoyl)-N,N-dimethylpyridine-3-carboxamide
CID 139594706
Nicosulfuron-TP AUSN
CID 132990948
2-(N-((4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
CID 139595163
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525761
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525762
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146525795
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146526072
N-(4,6-dimethyl-2-pyrimidinyl)-4-({[(3-pyridinylcarbonyl)amino]carbothioyl}amino)benzenesulfonamide
CID 3095037
N-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-sulfonamide
CID 66959284
5-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-sulfonamide
CID 66959673

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 57169324) is 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KLSGPUYORTWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-9-8-10(2)18-14(17-9)19-15(23)20-26(24,25)12-11(6-5-7-16-12)13(22)21(3)4/h5-8H,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 57169324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).