2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one

C15H16N4O3 — CID 124892826

IUPAC2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@H](Oc2ccncc2)C1
InChIInChI=1S/C15H16N4O3/c20-14-2-1-6-17-19(14)11-15(21)18-9-5-13(10-18)22-12-3-7-16-8-4-12/h1-4,6-8,13H,5,9-11H2/t13-/m0/s1
InChIKeyWXGSZSNRBISKTB-ZDUSSCGKSA-N
MW300.32 g/mol
LogP0.32
Rot. Bonds4

About 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 124892826) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
PubChem CID124892826
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@H](Oc2ccncc2)C1
InChIInChI=1S/C15H16N4O3/c20-14-2-1-6-17-19(14)11-15(21)18-9-5-13(10-18)22-12-3-7-16-8-4-12/h1-4,6-8,13H,5,9-11H2/t13-/m0/s1
InChIKeyWXGSZSNRBISKTB-ZDUSSCGKSA-N
XLogP0.32
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
2-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121017722
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 126851060
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
4-methyl-2-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]phthalazin-1-one
CID 70743963
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one (CID 124892826) is 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC[C@H](Oc2ccncc2)C1.
What is the InChIKey of 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is WXGSZSNRBISKTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14-2-1-6-17-19(14)11-15(21)18-9-5-13(10-18)22-12-3-7-16-8-4-12/h1-4,6-8,13H,5,9-11H2/t13-/m0/s1.
What are the key properties of 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 300.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 124892826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).