6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide

C11H12FN3O2 — CID 115497910

IUPAC6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C1CCC(CNC(=O)c2cccc(F)n2)N1
InChIInChI=1S/C11H12FN3O2/c12-9-3-1-2-8(15-9)11(17)13-6-7-4-5-10(16)14-7/h1-3,7H,4-6H2,(H,13,17)(H,14,16)
InChIKeyILIXEPXXJGXDIK-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.23
Rot. Bonds3

About 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 115497910) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID115497910
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C1CCC(CNC(=O)c2cccc(F)n2)N1
InChIInChI=1S/C11H12FN3O2/c12-9-3-1-2-8(15-9)11(17)13-6-7-4-5-10(16)14-7/h1-3,7H,4-6H2,(H,13,17)(H,14,16)
InChIKeyILIXEPXXJGXDIK-UHFFFAOYSA-N
XLogP0.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide (CID 115497910) is 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide is O=C1CCC(CNC(=O)c2cccc(F)n2)N1.
What is the InChIKey of 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ILIXEPXXJGXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-9-3-1-2-8(15-9)11(17)13-6-7-4-5-10(16)14-7/h1-3,7H,4-6H2,(H,13,17)(H,14,16).
What are the key properties of 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).