[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone

C16H26N4O — CID 83046126

IUPAC[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCCCC2CCC)nn1
InChIInChI=1S/C16H26N4O/c1-3-7-13-8-5-6-12-20(13)16(21)14-9-10-15(19-18-14)17-11-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,19)
InChIKeyMCQGUEIEBNUGFC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.09
Rot. Bonds6

About [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone

[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 83046126) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
PubChem CID83046126
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCCCC2CCC)nn1
InChIInChI=1S/C16H26N4O/c1-3-7-13-8-5-6-12-20(13)16(21)14-9-10-15(19-18-14)17-11-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,19)
InChIKeyMCQGUEIEBNUGFC-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109115213
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890

Frequently Asked Questions

What is the IUPAC name of [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone (CID 83046126) is [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone is CCCNc1ccc(C(=O)N2CCCCC2CCC)nn1.
What is the InChIKey of [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is MCQGUEIEBNUGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-7-13-8-5-6-12-20(13)16(21)14-9-10-15(19-18-14)17-11-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,19).
What are the key properties of [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone?
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83046126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).