N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide

C17H17Cl2N5O2 — CID 113040560

IUPACN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)16-5-4-15(21-22-16)20-17(26)12-2-3-13(18)14(19)10-12/h2-5,10H,6-9H2,1H3,(H,20,21,26)
InChIKeyDEYXVHYOFXELCP-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.70
Rot. Bonds3

About N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide (PubChem CID 113040560) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
PubChem CID113040560
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)16-5-4-15(21-22-16)20-17(26)12-2-3-13(18)14(19)10-12/h2-5,10H,6-9H2,1H3,(H,20,21,26)
InChIKeyDEYXVHYOFXELCP-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
ethyl 4-[6-[(3-chlorobenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043596
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
ethyl 4-[6-(1,3-benzodioxole-5-carbonylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043599
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide (CID 113040560) is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide?
The InChIKey is DEYXVHYOFXELCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(25)23-6-8-24(9-7-23)16-5-4-15(21-22-16)20-17(26)12-2-3-13(18)14(19)10-12/h2-5,10H,6-9H2,1H3,(H,20,21,26).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide?
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide has a molecular weight of 394.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 113040560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).