2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide

C15H18N6O7S — CID 14346882

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)OC)n1
InChIInChI=1S/C15H18N6O7S/c1-21(28-4)13(22)9-6-5-7-16-12(9)29(24,25)20-15(23)19-14-17-10(26-2)8-11(18-14)27-3/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyLJUIMIBZJRVOIW-UHFFFAOYSA-N
MW426.41 g/mol
LogP0.03
Rot. Bonds7

About 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 14346882) has the molecular formula C15H18N6O7S and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID14346882
Molecular FormulaC15H18N6O7S
Molecular Weight426.41 g/mol
Exact Mass426.10
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)OC)n1
InChIInChI=1S/C15H18N6O7S/c1-21(28-4)13(22)9-6-5-7-16-12(9)29(24,25)20-15(23)19-14-17-10(26-2)8-11(18-14)27-3/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyLJUIMIBZJRVOIW-UHFFFAOYSA-N
XLogP0.03
TPSA161.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nicosulfuron
CID 73281
Flazasulfuron
CID 93539
Ethyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]sulfanylpyridine-3-carboxylate
CID 15550324
N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 15534902
N-{4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 2971010
Diethatylethyl Impurity 2
CID 14346877
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethyl-N-methylpyridine-3-carboxamide
CID 14346881
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 14346886
2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 57169324
N-(6-methoxypyrimidin-4-yl)nicotinamide
CID 71795717
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide
CID 14346878
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 14346883

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide (CID 14346882) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is LJUIMIBZJRVOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O7S/c1-21(28-4)13(22)9-6-5-7-16-12(9)29(24,25)20-15(23)19-14-17-10(26-2)8-11(18-14)27-3/h5-8H,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 14346882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).