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

C15H18N6O6S — CID 14346878

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N6O6S/c1-4-16-12(22)9-6-5-7-17-13(9)28(24,25)21-15(23)20-14-18-10(26-2)8-11(19-14)27-3/h5-8H,4H2,1-3H3,(H,16,22)(H2,18,19,20,21,23)
InChIKeySDDIRQTYXUCBSI-UHFFFAOYSA-N
MW410.41 g/mol
LogP0.15
Rot. Bonds7

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

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide (PubChem CID 14346878) has the molecular formula C15H18N6O6S and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide
PubChem CID14346878
Molecular FormulaC15H18N6O6S
Molecular Weight410.41 g/mol
Exact Mass410.10
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N6O6S/c1-4-16-12(22)9-6-5-7-17-13(9)28(24,25)21-15(23)20-14-18-10(26-2)8-11(19-14)27-3/h5-8H,4H2,1-3H3,(H,16,22)(H2,18,19,20,21,23)
InChIKeySDDIRQTYXUCBSI-UHFFFAOYSA-N
XLogP0.15
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 50.15
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
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-methoxy-N-methylpyridine-3-carboxamide
CID 14346882
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-ethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide (CID 14346878) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide?
The InChIKey is SDDIRQTYXUCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O6S/c1-4-16-12(22)9-6-5-7-17-13(9)28(24,25)21-15(23)20-14-18-10(26-2)8-11(19-14)27-3/h5-8H,4H2,1-3H3,(H,16,22)(H2,18,19,20,21,23).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-ethylpyridine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 0.15, 7 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-ethylpyridine-3-carboxamide is sourced from PubChem (CID 14346878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).