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

C16H27N5O — CID 109115213

IUPAC[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCN(C)C)nn1
InChIInChI=1S/C16H27N5O/c1-4-13-7-5-6-11-21(13)16(22)14-8-9-15(19-18-14)17-10-12-20(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,17,19)
InChIKeyXXHYJQCLIQYBPY-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.85
Rot. Bonds6

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

[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109115213) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109115213
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(NCCN(C)C)nn1
InChIInChI=1S/C16H27N5O/c1-4-13-7-5-6-11-21(13)16(22)14-8-9-15(19-18-14)17-10-12-20(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,17,19)
InChIKeyXXHYJQCLIQYBPY-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109125895
1-[3-[[6-(2-ethylpiperidine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109125899
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 104691187

Frequently Asked Questions

What is the IUPAC name of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109115213) is [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(NCCN(C)C)nn1.
What is the InChIKey of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is XXHYJQCLIQYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-13-7-5-6-11-21(13)16(22)14-8-9-15(19-18-14)17-10-12-20(2)3/h8-9,13H,4-7,10-12H2,1-3H3,(H,17,19).
What are the key properties of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 305.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109115213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).