6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

C24H25FN4O — CID 121028384

IUPAC6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C24H25FN4O/c25-21-8-6-20(7-9-21)17-26-24(30)22-10-11-23(28-27-22)29-14-12-19(13-15-29)16-18-4-2-1-3-5-18/h1-11,19H,12-17H2,(H,26,30)
InChIKeyCUOSQZDYGZLUGD-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.00
Rot. Bonds6

About 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 121028384) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID121028384
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C24H25FN4O/c25-21-8-6-20(7-9-21)17-26-24(30)22-10-11-23(28-27-22)29-14-12-19(13-15-29)16-18-4-2-1-3-5-18/h1-11,19H,12-17H2,(H,26,30)
InChIKeyCUOSQZDYGZLUGD-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]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

Related Compounds

6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
6-(4-benzylpiperidin-1-yl)-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)pyridazine-3-carboxamide
CID 121028581
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (CID 121028384) is 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is CUOSQZDYGZLUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-21-8-6-20(7-9-21)17-26-24(30)22-10-11-23(28-27-22)29-14-12-19(13-15-29)16-18-4-2-1-3-5-18/h1-11,19H,12-17H2,(H,26,30).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121028384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).