4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide

C20H19ClN6O — CID 113043874

IUPAC4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O/c21-16-6-4-15(5-7-16)20(28)23-17-8-9-19(25-24-17)27-13-11-26(12-14-27)18-3-1-2-10-22-18/h1-10H,11-14H2,(H,23,24,28)
InChIKeyOQUKDXDHGXGNCS-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide

4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113043874) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113043874
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O/c21-16-6-4-15(5-7-16)20(28)23-17-8-9-19(25-24-17)27-13-11-26(12-14-27)18-3-1-2-10-22-18/h1-10H,11-14H2,(H,23,24,28)
InChIKeyOQUKDXDHGXGNCS-UHFFFAOYSA-N
XLogP3.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide 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

2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
CID 113040560
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391888
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113040477
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124140
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896
3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
CID 113043895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide (CID 113043874) is 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is OQUKDXDHGXGNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-16-6-4-15(5-7-16)20(28)23-17-8-9-19(25-24-17)27-13-11-26(12-14-27)18-3-1-2-10-22-18/h1-10H,11-14H2,(H,23,24,28).
What are the key properties of 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide?
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 394.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113043874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).