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

C14H21N5O3 — CID 109113907

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C14H21N5O3/c1-11(20)18-6-8-19(9-7-18)13-4-3-12(16-17-13)14(21)15-5-10-22-2/h3-4H,5-10H2,1-2H3,(H,15,21)
InChIKeyXTZBVEIVTIFHTA-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.48
Rot. Bonds5

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

6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide (PubChem CID 109113907) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
PubChem CID109113907
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C14H21N5O3/c1-11(20)18-6-8-19(9-7-18)13-4-3-12(16-17-13)14(21)15-5-10-22-2/h3-4H,5-10H2,1-2H3,(H,15,21)
InChIKeyXTZBVEIVTIFHTA-UHFFFAOYSA-N
XLogP-0.48
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
N-(2-methoxyethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109113954
ethyl 4-[6-[2-(dimethylamino)ethylcarbamoyl]pyridazin-3-yl]piperazine-1-carboxylate
CID 109115372
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
CID 109117149
1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 67011723
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide (CID 109113907) is 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)nn1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The InChIKey is XTZBVEIVTIFHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-11(20)18-6-8-19(9-7-18)13-4-3-12(16-17-13)14(21)15-5-10-22-2/h3-4H,5-10H2,1-2H3,(H,15,21).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109113907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).