1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide

C17H18FN3O3 — CID 51079049

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCOC2)nn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-11-8-15(22)16(17(23)19-9-12-6-7-24-10-12)20-21(11)14-5-3-2-4-13(14)18/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyZDKJJJXZPYRVDZ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.45
Rot. Bonds4

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 51079049) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID51079049
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCOC2)nn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-11-8-15(22)16(17(23)19-9-12-6-7-24-10-12)20-21(11)14-5-3-2-4-13(14)18/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,23)
InChIKeyZDKJJJXZPYRVDZ-UHFFFAOYSA-N
XLogP1.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide (CID 51079049) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCOC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is ZDKJJJXZPYRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-8-15(22)16(17(23)19-9-12-6-7-24-10-12)20-21(11)14-5-3-2-4-13(14)18/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,23).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 51079049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).