2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

C15H18N6O5S — CID 14346883

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C15H18N6O5S/c1-9-8-11(26-4)18-14(17-9)19-15(23)20-27(24,25)12-10(6-5-7-16-12)13(22)21(2)3/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyKOPREWMPVWYTEV-UHFFFAOYSA-N
MW394.41 g/mol
LogP0.40
Rot. Bonds5

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

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 14346883) has the molecular formula C15H18N6O5S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID14346883
Molecular FormulaC15H18N6O5S
Molecular Weight394.41 g/mol
Exact Mass394.11
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C15H18N6O5S/c1-9-8-11(26-4)18-14(17-9)19-15(23)20-27(24,25)12-10(6-5-7-16-12)13(22)21(2)3/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyKOPREWMPVWYTEV-UHFFFAOYSA-N
XLogP0.40
TPSA143.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide (CID 14346883) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KOPREWMPVWYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O5S/c1-9-8-11(26-4)18-14(17-9)19-15(23)20-27(24,25)12-10(6-5-7-16-12)13(22)21(2)3/h5-8H,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide?
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 14346883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).