6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide

C17H17Cl2N5O2 — CID 109117200

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)17(26)20-13-4-2-3-12(18)16(13)19/h2-6H,7-10H2,1H3,(H,20,26)
InChIKeyYYRPIZFVLOKIEN-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.70
Rot. Bonds3

About 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide (PubChem CID 109117200) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
PubChem CID109117200
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)17(26)20-13-4-2-3-12(18)16(13)19/h2-6H,7-10H2,1H3,(H,20,26)
InChIKeyYYRPIZFVLOKIEN-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-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
CID 109117149
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
1-[4-[3-(2,3-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946987
N-[3-(aminomethyl)-2-chlorophenyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 150820651
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide (CID 109117200) is 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)nn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide?
The InChIKey is YYRPIZFVLOKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(25)23-7-9-24(10-8-23)15-6-5-14(21-22-15)17(26)20-13-4-2-3-12(18)16(13)19/h2-6H,7-10H2,1H3,(H,20,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide 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 6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).