3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide

C21H20ClN5O — CID 113043115

IUPAC3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN5O/c22-17-6-4-5-16(15-17)21(28)23-19-9-10-20(25-24-19)27-13-11-26(12-14-27)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H,23,24,28)
InChIKeyOHKGPTFDSWOJAC-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.71
Rot. Bonds4

About 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide

3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide (PubChem CID 113043115) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
PubChem CID113043115
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN5O/c22-17-6-4-5-16(15-17)21(28)23-19-9-10-20(25-24-19)27-13-11-26(12-14-27)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H,23,24,28)
InChIKeyOHKGPTFDSWOJAC-UHFFFAOYSA-N
XLogP3.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113045045
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
CID 113043097
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
CID 113040560
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide (CID 113043115) is 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide?
The InChIKey is OHKGPTFDSWOJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-6-4-5-16(15-17)21(28)23-19-9-10-20(25-24-19)27-13-11-26(12-14-27)18-7-2-1-3-8-18/h1-10,15H,11-14H2,(H,23,24,28).
What are the key properties of 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide has a molecular weight of 393.88 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113043115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).