1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

C21H20FN3O2 — CID 26687881

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(C)c1
InChIInChI=1S/C21H20FN3O2/c1-12-9-13(2)19(14(3)10-12)23-21(27)20-18(26)11-15(4)25(24-20)17-8-6-5-7-16(17)22/h5-11H,1-4H3,(H,23,27)
InChIKeyAKXABHYYMLYZJY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (PubChem CID 26687881) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
PubChem CID26687881
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(C)c1
InChIInChI=1S/C21H20FN3O2/c1-12-9-13(2)19(14(3)10-12)23-21(27)20-18(26)11-15(4)25(24-20)17-8-6-5-7-16(17)22/h5-11H,1-4H3,(H,23,27)
InChIKeyAKXABHYYMLYZJY-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (CID 26687881) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(C)c1.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is AKXABHYYMLYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-12-9-13(2)19(14(3)10-12)23-21(27)20-18(26)11-15(4)25(24-20)17-8-6-5-7-16(17)22/h5-11H,1-4H3,(H,23,27).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 26687881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).