N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H18N6O4S — CID 121067088

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)nc(C)n1
InChIInChI=1S/C18H18N6O4S/c1-11-10-16(20-12(2)19-11)23-29(27,28)14-6-4-13(5-7-14)21-18(26)15-8-9-17(25)24(3)22-15/h4-10H,1-3H3,(H,21,26)(H,19,20,23)
InChIKeyDLSXOZBXSXUGRV-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.24
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 121067088) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID121067088
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)nc(C)n1
InChIInChI=1S/C18H18N6O4S/c1-11-10-16(20-12(2)19-11)23-29(27,28)14-6-4-13(5-7-14)21-18(26)15-8-9-17(25)24(3)22-15/h4-10H,1-3H3,(H,21,26)(H,19,20,23)
InChIKeyDLSXOZBXSXUGRV-UHFFFAOYSA-N
XLogP1.24
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55349074
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 2206745
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
CID 4793489
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
CID 2430662

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 121067088) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is DLSXOZBXSXUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c1-11-10-16(20-12(2)19-11)23-29(27,28)14-6-4-13(5-7-14)21-18(26)15-8-9-17(25)24(3)22-15/h4-10H,1-3H3,(H,21,26)(H,19,20,23).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121067088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).