2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C14H16N6O6S — CID 139595163

IUPAC2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)
InChIKeyGWSGLOGPJIZRSQ-UHFFFAOYSA-N
MW396.39 g/mol
LogP-0.61
Rot. Bonds5

About 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 139595163) has the molecular formula C14H16N6O6S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID139595163
Molecular FormulaC14H16N6O6S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23)
InChIKeyGWSGLOGPJIZRSQ-UHFFFAOYSA-N
XLogP-0.61
TPSA163.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N-[(4-Methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 139594374
2-((carbamoylcarbamoyl)sulfamoyl)-N,N-dimethylpyridine-3-carboxamide
CID 139594706
Nicosulfuron-TP AUSN
CID 132990948
US11377438, Example 141
CID 146526033
3-(Dimethylcarbamoyl)pyridine-2-sulfonyl chloride
CID 11139505
2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 57169324
[[3-[(Dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]carbamic acid ethyl ester
CID 15545185
2-(N-carbamoylsulfamoyl)-N,N-dimethylnicotinamide
CID 19972117
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-(methylamino)nicotinamide
CID 74250724
2-[[4,6-bis(methylsulfanyl)pyrimidin-2-yl]carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 76316537

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 139595163) is 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(=O)[nH]c(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is GWSGLOGPJIZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O6S/c1-20(2)12(22)8-5-4-6-15-11(8)27(24,25)19-14(23)18-13-16-9(21)7-10(17-13)26-3/h4-7H,1-3H3,(H3,16,17,18,19,21,23).
What are the key properties of 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 139595163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).