4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

C18H24N6O — CID 122350650

IUPAC4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nn1
InChIInChI=1S/C18H24N6O/c1-3-19-16-8-9-17(22-21-16)23-10-12-24(13-11-23)18(25)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,25)
InChIKeyWOQAAEWNKJZFOX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.57
Rot. Bonds4

About 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 122350650) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID122350650
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nn1
InChIInChI=1S/C18H24N6O/c1-3-19-16-8-9-17(22-21-16)23-10-12-24(13-11-23)18(25)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,25)
InChIKeyWOQAAEWNKJZFOX-UHFFFAOYSA-N
XLogP2.57
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350668
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide (CID 122350650) is 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide is CCNc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nn1.
What is the InChIKey of 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is WOQAAEWNKJZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-19-16-8-9-17(22-21-16)23-10-12-24(13-11-23)18(25)20-15-6-4-14(2)5-7-15/h4-9H,3,10-13H2,1-2H3,(H,19,21)(H,20,25).
What are the key properties of 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide?
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).