N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide

C17H18N6O4S — CID 2430662

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C3=CCC(=O)NN3)cc2)nc(C)n1
InChIInChI=1S/C17H18N6O4S/c1-10-9-15(19-11(2)18-10)23-28(26,27)13-5-3-12(4-6-13)20-17(25)14-7-8-16(24)22-21-14/h3-7,9,21H,8H2,1-2H3,(H,20,25)(H,22,24)(H,18,19,23)
InChIKeyNGGVLOXKYHVHKC-UHFFFAOYSA-N
MW402.44 g/mol
LogP0.74
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide (PubChem CID 2430662) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
PubChem CID2430662
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C3=CCC(=O)NN3)cc2)nc(C)n1
InChIInChI=1S/C17H18N6O4S/c1-10-9-15(19-11(2)18-10)23-28(26,27)13-5-3-12(4-6-13)20-17(25)14-7-8-16(24)22-21-14/h3-7,9,21H,8H2,1-2H3,(H,20,25)(H,22,24)(H,18,19,23)
InChIKeyNGGVLOXKYHVHKC-UHFFFAOYSA-N
XLogP0.74
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide with MolForge

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785490
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]-4-propoxybenzamide
CID 2443855

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide (CID 2430662) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3=CCC(=O)NN3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
The InChIKey is NGGVLOXKYHVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-10-9-15(19-11(2)18-10)23-28(26,27)13-5-3-12(4-6-13)20-17(25)14-7-8-16(24)22-21-14/h3-7,9,21H,8H2,1-2H3,(H,20,25)(H,22,24)(H,18,19,23).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide is sourced from PubChem (CID 2430662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).