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

C18H24N6O2 — CID 122350638

IUPAC4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1
InChIInChI=1S/C18H24N6O2/c1-3-19-16-7-8-17(22-21-16)23-9-11-24(12-10-23)18(25)20-14-5-4-6-15(13-14)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,19,21)(H,20,25)
InChIKeyWXHCKMPCTYVJFE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.27
Rot. Bonds5

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

4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 122350638) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID122350638
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1
InChIInChI=1S/C18H24N6O2/c1-3-19-16-7-8-17(22-21-16)23-9-11-24(12-10-23)18(25)20-14-5-4-6-15(13-14)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,19,21)(H,20,25)
InChIKeyWXHCKMPCTYVJFE-UHFFFAOYSA-N
XLogP2.27
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 16812679
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350668
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 122350638) is 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is CCNc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nn1.
What is the InChIKey of 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WXHCKMPCTYVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-19-16-7-8-17(22-21-16)23-9-11-24(12-10-23)18(25)20-14-5-4-6-15(13-14)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,19,21)(H,20,25).
What are the key properties of 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122350638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).