5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one

C15H16N4O3 — CID 91627644

IUPAC5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C15H16N4O3/c20-13-6-5-11(9-16-13)15(21)19-8-2-3-12(10-19)22-14-4-1-7-17-18-14/h1,4-7,9,12H,2-3,8,10H2,(H,16,20)
InChIKeyJYLZBFZLEVLJIR-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.85
Rot. Bonds3

About 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one

5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 91627644) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID91627644
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C15H16N4O3/c20-13-6-5-11(9-16-13)15(21)19-8-2-3-12(10-19)22-14-4-1-7-17-18-14/h1,4-7,9,12H,2-3,8,10H2,(H,16,20)
InChIKeyJYLZBFZLEVLJIR-UHFFFAOYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
5-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798575
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627672
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
6-[(3S)-3-pyridazin-3-yloxypyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 100622739

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one (CID 91627644) is 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is JYLZBFZLEVLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13-6-5-11(9-16-13)15(21)19-8-2-3-12(10-19)22-14-4-1-7-17-18-14/h1,4-7,9,12H,2-3,8,10H2,(H,16,20).
What are the key properties of 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 300.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 91627644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).