6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide

C15H20N6O6S — CID 86340296

IUPAC6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)C2=C(C(=O)N(C)C)C=CCN2)n1
InChIInChI=1S/C15H20N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-6,8,16H,7H2,1-4H3,(H2,17,18,19,20,23)
InChIKeyJPSGLNQPRJBMAJ-UHFFFAOYSA-N
MW412.43 g/mol
LogP-0.60
Rot. Bonds6

About 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide

6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide (PubChem CID 86340296) has the molecular formula C15H20N6O6S and a molecular weight of 412.43 g/mol. Its IUPAC name is 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide
PubChem CID86340296
Molecular FormulaC15H20N6O6S
Molecular Weight412.43 g/mol
Exact Mass412.12
IUPAC Name6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)C2=C(C(=O)N(C)C)C=CCN2)n1
InChIInChI=1S/C15H20N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-6,8,16H,7H2,1-4H3,(H2,17,18,19,20,23)
InChIKeyJPSGLNQPRJBMAJ-UHFFFAOYSA-N
XLogP-0.60
TPSA151.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide?
The IUPAC name of 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide (CID 86340296) is 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide.
What is the SMILES notation for 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide?
The canonical SMILES for 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)C2=C(C(=O)N(C)C)C=CCN2)n1.
What is the InChIKey of 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide?
The InChIKey is JPSGLNQPRJBMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-6,8,16H,7H2,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide?
6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide has a molecular weight of 412.43 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 86340296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).