2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C14H15ClN6O5S — CID 14346886

IUPAC2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H15ClN6O5S/c1-21(2)12(22)8-5-4-6-16-11(8)27(24,25)20-14(23)19-13-17-9(15)7-10(18-13)26-3/h4-7H,1-3H3,(H2,17,18,19,20,23)
InChIKeyASYSNEJDLNCKRP-UHFFFAOYSA-N
MW414.83 g/mol
LogP0.75
Rot. Bonds5

About 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 14346886) has the molecular formula C14H15ClN6O5S and a molecular weight of 414.83 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID14346886
Molecular FormulaC14H15ClN6O5S
Molecular Weight414.83 g/mol
Exact Mass414.05
IUPAC Name2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C14H15ClN6O5S/c1-21(2)12(22)8-5-4-6-16-11(8)27(24,25)20-14(23)19-13-17-9(15)7-10(18-13)26-3/h4-7H,1-3H3,(H2,17,18,19,20,23)
InChIKeyASYSNEJDLNCKRP-UHFFFAOYSA-N
XLogP0.75
TPSA143.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 14346886) is 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ASYSNEJDLNCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O5S/c1-21(2)12(22)8-5-4-6-16-11(8)27(24,25)20-14(23)19-13-17-9(15)7-10(18-13)26-3/h4-7H,1-3H3,(H2,17,18,19,20,23).
What are the key properties of 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 414.83 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 14346886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).