2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid

C13H13N5O7S — CID 19390517

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H13N5O7S/c1-24-8-6-9(25-2)16-12(15-8)17-13(21)18-26(22,23)10-7(11(19)20)4-3-5-14-10/h3-6H,1-2H3,(H,19,20)(H2,15,16,17,18,21)
InChIKeyWNHJVPVHSLNAIM-UHFFFAOYSA-N
MW383.34 g/mol
LogP0.10
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 19390517) has the molecular formula C13H13N5O7S and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID19390517
Molecular FormulaC13H13N5O7S
Molecular Weight383.34 g/mol
Exact Mass383.05
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H13N5O7S/c1-24-8-6-9(25-2)16-12(15-8)17-13(21)18-26(22,23)10-7(11(19)20)4-3-5-14-10/h3-6H,1-2H3,(H,19,20)(H2,15,16,17,18,21)
InChIKeyWNHJVPVHSLNAIM-UHFFFAOYSA-N
XLogP0.10
TPSA169.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-[ethyl(methylsulfonyl)amino]-2-pyridinyl]sulfonyl]urea
CID 19977699
1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]urea
CID 22118239
1-(4-chloro-6-methoxypyrimidin-2-yl)-3-[[3-(2-fluoro-1-hydroxyethyl)-2-pyridinyl]sulfonyl]urea
CID 19377403
1-[(4-amino-3-methylsulfonyl-2-pyridinyl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 21466994
1-[[3-(5,6-dihydro-1,4,2-oxathiazin-3-yl)-2-pyridinyl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 51030996
5-(bromomethyl)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 19819265
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[(3-phenyl-2-pyridinyl)sulfonyl]urea
CID 23044833
1-[(2-chloro-3-pyridinyl)sulfonyl]-3-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]urea
CID 88620758

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid (CID 19390517) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is WNHJVPVHSLNAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O7S/c1-24-8-6-9(25-2)16-12(15-8)17-13(21)18-26(22,23)10-7(11(19)20)4-3-5-14-10/h3-6H,1-2H3,(H,19,20)(H2,15,16,17,18,21).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 383.34 g/mol, XLogP of 0.10, 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]pyridine-3-carboxylic acid is sourced from PubChem (CID 19390517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).