1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide

C20H19FN4O4S — CID 55723597

IUPAC1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2NS(C)(=O)=O)nn1-c1ccccc1F
InChIInChI=1S/C20H19FN4O4S/c1-13-11-18(26)19(23-25(13)17-10-6-4-8-15(17)21)20(27)22-12-14-7-3-5-9-16(14)24-30(2,28)29/h3-11,24H,12H2,1-2H3,(H,22,27)
InChIKeyJELHYMLSNOICIC-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.98
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 55723597) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID55723597
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2NS(C)(=O)=O)nn1-c1ccccc1F
InChIInChI=1S/C20H19FN4O4S/c1-13-11-18(26)19(23-25(13)17-10-6-4-8-15(17)21)20(27)22-12-14-7-3-5-9-16(14)24-30(2,28)29/h3-11,24H,12H2,1-2H3,(H,22,27)
InChIKeyJELHYMLSNOICIC-UHFFFAOYSA-N
XLogP1.98
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60565851
1-(2-fluorophenyl)-6-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxopyridazine-3-carboxamide
CID 55461205
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 56572917
2-(2,4-dimethylphenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-5-methyltriazole-4-carboxamide
CID 46476234

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 55723597) is 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccccc2NS(C)(=O)=O)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is JELHYMLSNOICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-13-11-18(26)19(23-25(13)17-10-6-4-8-15(17)21)20(27)22-12-14-7-3-5-9-16(14)24-30(2,28)29/h3-11,24H,12H2,1-2H3,(H,22,27).
What are the key properties of 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).