[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone

C19H24N4O — CID 109117736

IUPAC[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H24N4O/c1-2-16-10-6-7-13-23(16)19(24)17-11-12-18(22-21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,20,22)
InChIKeyBBWKDBGZRDCDJV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.49
Rot. Bonds5

About [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone

[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109117736) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109117736
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H24N4O/c1-2-16-10-6-7-13-23(16)19(24)17-11-12-18(22-21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,20,22)
InChIKeyBBWKDBGZRDCDJV-UHFFFAOYSA-N
XLogP3.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109115213
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109125899
[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895
(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109188527
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 104691187
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
(2-ethylpiperidin-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109310948

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109117736) is [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is BBWKDBGZRDCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-16-10-6-7-13-23(16)19(24)17-11-12-18(22-21-17)20-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3,(H,20,22).
What are the key properties of [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109117736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).