1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C15H18FN3O3 — CID 178201856

IUPAC1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C15H18FN3O3/c16-12-3-1-4-13(17-12)22-11-6-8-19(9-11)15(21)10-18-7-2-5-14(18)20/h1,3-4,11H,2,5-10H2
InChIKeyVHICZHVNCXQSCP-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.82
Rot. Bonds4

About 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 178201856) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID178201856
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C15H18FN3O3/c16-12-3-1-4-13(17-12)22-11-6-8-19(9-11)15(21)10-18-7-2-5-14(18)20/h1,3-4,11H,2,5-10H2
InChIKeyVHICZHVNCXQSCP-UHFFFAOYSA-N
XLogP0.82
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 171999583
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 172882430
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 128992413
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171705156
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 171704720
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 178201856) is 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC(Oc2cccc(F)n2)C1.
What is the InChIKey of 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is VHICZHVNCXQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-12-3-1-4-13(17-12)22-11-6-8-19(9-11)15(21)10-18-7-2-5-14(18)20/h1,3-4,11H,2,5-10H2.
What are the key properties of 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 307.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 178201856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).