3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one

C17H15FN2O2 — CID 71570280

IUPAC3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(C(=O)c2cncc(-c3cccc(F)c3)c2)C1=O
InChIInChI=1S/C17H15FN2O2/c1-20-6-5-15(17(20)22)16(21)13-7-12(9-19-10-13)11-3-2-4-14(18)8-11/h2-4,7-10,15H,5-6H2,1H3
InChIKeyKDMAXLPRWBEKGY-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.55
Rot. Bonds3

About 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one

3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 71570280) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID71570280
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(C(=O)c2cncc(-c3cccc(F)c3)c2)C1=O
InChIInChI=1S/C17H15FN2O2/c1-20-6-5-15(17(20)22)16(21)13-7-12(9-19-10-13)11-3-2-4-14(18)8-11/h2-4,7-10,15H,5-6H2,1H3
InChIKeyKDMAXLPRWBEKGY-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one (CID 71570280) is 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one is CN1CCC(C(=O)c2cncc(-c3cccc(F)c3)c2)C1=O.
What is the InChIKey of 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is KDMAXLPRWBEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-6-5-15(17(20)22)16(21)13-7-12(9-19-10-13)11-3-2-4-14(18)8-11/h2-4,7-10,15H,5-6H2,1H3.
What are the key properties of 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one?
3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 298.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71570280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).