1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide

C22H26FN3O2 — CID 55413681

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC3CCC2(C)C3(C)C)nn1-c1ccccc1F
InChIInChI=1S/C22H26FN3O2/c1-13-11-17(27)19(25-26(13)16-8-6-5-7-15(16)23)20(28)24-18-12-14-9-10-22(18,4)21(14,2)3/h5-8,11,14,18H,9-10,12H2,1-4H3,(H,24,28)
InChIKeyQPHAIUGETKUYDX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide (PubChem CID 55413681) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide
PubChem CID55413681
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC3CCC2(C)C3(C)C)nn1-c1ccccc1F
InChIInChI=1S/C22H26FN3O2/c1-13-11-17(27)19(25-26(13)16-8-6-5-7-15(16)23)20(28)24-18-12-14-9-10-22(18,4)21(14,2)3/h5-8,11,14,18H,9-10,12H2,1-4H3,(H,24,28)
InChIKeyQPHAIUGETKUYDX-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.62
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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide (CID 55413681) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CC3CCC2(C)C3(C)C)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide?
The InChIKey is QPHAIUGETKUYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-13-11-17(27)19(25-26(13)16-8-6-5-7-15(16)23)20(28)24-18-12-14-9-10-22(18,4)21(14,2)3/h5-8,11,14,18H,9-10,12H2,1-4H3,(H,24,28).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.62, 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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55413681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).