3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one

C20H28N4O2 — CID 24993174

IUPAC3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
SMILESCC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O
InChIInChI=1S/C20H28N4O2/c1-20(2)12-17(22-23-19(20)25)14-6-7-18(21-13-14)26-16-8-10-24(11-9-16)15-4-3-5-15/h6-7,13,15-16H,3-5,8-12H2,1-2H3,(H,23,25)
InChIKeyHAZFQOBHDUWTML-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.73
Rot. Bonds4

About 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one

3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one (PubChem CID 24993174) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one.

Molecular Properties

Compound Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
PubChem CID24993174
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
SMILESCC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O
InChIInChI=1S/C20H28N4O2/c1-20(2)12-17(22-23-19(20)25)14-6-7-18(21-13-14)26-16-8-10-24(11-9-16)15-4-3-5-15/h6-7,13,15-16H,3-5,8-12H2,1-2H3,(H,23,25)
InChIKeyHAZFQOBHDUWTML-UHFFFAOYSA-N
XLogP2.73
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one (CID 24993174) is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one.
What is the SMILES notation for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The canonical SMILES for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one is CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)nc2)=NNC1=O.
What is the InChIKey of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The InChIKey is HAZFQOBHDUWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2)12-17(22-23-19(20)25)14-6-7-18(21-13-14)26-16-8-10-24(11-9-16)15-4-3-5-15/h6-7,13,15-16H,3-5,8-12H2,1-2H3,(H,23,25).
What are the key properties of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one has a molecular weight of 356.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one is sourced from PubChem (CID 24993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).