1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

C20H24N4O2 — CID 109125899

IUPAC1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCCC1CCCCN1C(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C20H24N4O2/c1-3-17-9-4-5-12-24(17)20(26)18-10-11-19(23-22-18)21-16-8-6-7-15(13-16)14(2)25/h6-8,10-11,13,17H,3-5,9,12H2,1-2H3,(H,21,23)
InChIKeyAPYDKZFILVMZBK-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 109125899) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID109125899
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCCC1CCCCN1C(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C20H24N4O2/c1-3-17-9-4-5-12-24(17)20(26)18-10-11-19(23-22-18)21-16-8-6-7-15(13-16)14(2)25/h6-8,10-11,13,17H,3-5,9,12H2,1-2H3,(H,21,23)
InChIKeyAPYDKZFILVMZBK-UHFFFAOYSA-N
XLogP3.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109116415
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109121887
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109115213

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 109125899) is 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is CCC1CCCCN1C(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is APYDKZFILVMZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-17-9-4-5-12-24(17)20(26)18-10-11-19(23-22-18)21-16-8-6-7-15(13-16)14(2)25/h6-8,10-11,13,17H,3-5,9,12H2,1-2H3,(H,21,23).
What are the key properties of 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109125899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).