3,3-Dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl] pentane-1,2-dione

HCID 18470072

Basic information

Standard SMILES
CCC(C)(C)C(=O)C(=O)C1CCCNN1C(=O)CCCC#Cc1cccnc1
InChIKey
CEOPDFWAUQROSP-UHFFFAOYSA-N
Molecular formula
C22H29N3O3
Average molar mass
383.5 g/mol

Names & identifiers

Preferred name
3,3-Dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl] pentane-1,2-dione
IUPAC
3,3-dimethyl-1-[2-(6-pyridin-3-ylhex-5-ynoyl)diazinan-3-yl]pentane-1,2-dione

Names & synonyms

SCHEMBL5364031CEOPDFWAUQROSP-UHFFFAOYSA-N3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl] pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5 ynoyl)perhydropyridazinyl]pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5-ynoyl)perhydropyridazinyl] pentane-1,2-dione3,3-dimethyl-1-[2-(6-(3-pyridyl)hex-5-ynoyl)perhydropyridazinyl]pentane-1,2-dione

Database identifiers

PubChem CID
18470072

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
79.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
28

Related reactions

6 records

Linked notes

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