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

C21H27N5O2 — CID 109117149

IUPAC6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3C(C)(C)C)nn2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(27)25-11-13-26(14-12-25)19-10-9-18(23-24-19)20(28)22-17-8-6-5-7-16(17)21(2,3)4/h5-10H,11-14H2,1-4H3,(H,22,28)
InChIKeyZTEIDHRQDZDDMN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.69
Rot. Bonds3

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

6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide (PubChem CID 109117149) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
PubChem CID109117149
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3C(C)(C)C)nn2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(27)25-11-13-26(14-12-25)19-10-9-18(23-24-19)20(28)22-17-8-6-5-7-16(17)21(2,3)4/h5-10H,11-14H2,1-4H3,(H,22,28)
InChIKeyZTEIDHRQDZDDMN-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2,4-dimethylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850169
N-(3-fluoro-2-methylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 25096737
6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
N-[3-(aminomethyl)-2-chlorophenyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 150820651

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide (CID 109117149) is 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3C(C)(C)C)nn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide?
The InChIKey is ZTEIDHRQDZDDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(27)25-11-13-26(14-12-25)19-10-9-18(23-24-19)20(28)22-17-8-6-5-7-16(17)21(2,3)4/h5-10H,11-14H2,1-4H3,(H,22,28).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.69, 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-tert-butylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).