4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide

C22H22FN3O2 — CID 16884998

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C22H22FN3O2/c1-16(17-6-3-2-4-7-17)24-21(27)8-5-15-26-22(28)14-13-20(25-26)18-9-11-19(23)12-10-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,24,27)
InChIKeyRYWHOMKKWXGZNN-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.71
Rot. Bonds7

About 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide (PubChem CID 16884998) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
PubChem CID16884998
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C22H22FN3O2/c1-16(17-6-3-2-4-7-17)24-21(27)8-5-15-26-22(28)14-13-20(25-26)18-9-11-19(23)12-10-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,24,27)
InChIKeyRYWHOMKKWXGZNN-UHFFFAOYSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide 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 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide (CID 16884998) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide is CC(NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
The InChIKey is RYWHOMKKWXGZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-16(17-6-3-2-4-7-17)24-21(27)8-5-15-26-22(28)14-13-20(25-26)18-9-11-19(23)12-10-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,24,27).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide has a molecular weight of 379.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 16884998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).