3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

C24H26FN5O — CID 50778640

IUPAC3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C24H26FN5O/c25-20-8-4-6-18(16-20)22-10-11-23(29-28-22)27-21-9-5-7-19(17-21)24(31)26-12-15-30-13-2-1-3-14-30/h4-11,16-17H,1-3,12-15H2,(H,26,31)(H,27,29)
InChIKeyQUMAFZPVZCDAHT-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.24
Rot. Bonds7

About 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 50778640) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID50778640
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1
InChIInChI=1S/C24H26FN5O/c25-20-8-4-6-18(16-20)22-10-11-23(29-28-22)27-21-9-5-7-19(17-21)24(31)26-12-15-30-13-2-1-3-14-30/h4-11,16-17H,1-3,12-15H2,(H,26,31)(H,27,29)
InChIKeyQUMAFZPVZCDAHT-UHFFFAOYSA-N
XLogP4.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide 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 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (CID 50778640) is 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1.
What is the InChIKey of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is QUMAFZPVZCDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-20-8-4-6-18(16-20)22-10-11-23(29-28-22)27-21-9-5-7-19(17-21)24(31)26-12-15-30-13-2-1-3-14-30/h4-11,16-17H,1-3,12-15H2,(H,26,31)(H,27,29).
What are the key properties of 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 50778640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).