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

C14H16N6O6S — CID 14346877

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H16N6O6S/c1-15-11(21)8-5-4-6-16-12(8)27(23,24)20-14(22)19-13-17-9(25-2)7-10(18-13)26-3/h4-7H,1-3H3,(H,15,21)(H2,17,18,19,20,22)
InChIKeyRXZWBHXHYOYMGF-UHFFFAOYSA-N
MW396.39 g/mol
LogP-0.24
Rot. Bonds6

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

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide (PubChem CID 14346877) has the molecular formula C14H16N6O6S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide
PubChem CID14346877
Molecular FormulaC14H16N6O6S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C14H16N6O6S/c1-15-11(21)8-5-4-6-16-12(8)27(23,24)20-14(22)19-13-17-9(25-2)7-10(18-13)26-3/h4-7H,1-3H3,(H,15,21)(H2,17,18,19,20,22)
InChIKeyRXZWBHXHYOYMGF-UHFFFAOYSA-N
XLogP-0.24
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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
Ethyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)pyridine-3-carboxylate
CID 15550323
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
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-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methoxy-N-methylpyridine-3-carboxamide
CID 14346882

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide (CID 14346877) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RXZWBHXHYOYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O6S/c1-15-11(21)8-5-4-6-16-12(8)27(23,24)20-14(22)19-13-17-9(25-2)7-10(18-13)26-3/h4-7H,1-3H3,(H,15,21)(H2,17,18,19,20,22).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 14346877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).