5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide

C12H11FN2O2 — CID 134374953

IUPAC5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CNC=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H11FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-5,10,15H,6H2,(H2,14,17)
InChIKeyQLKVCENOTSISLZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.44
Rot. Bonds2

About 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide

5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide (PubChem CID 134374953) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide
PubChem CID134374953
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CNC=C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H11FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-5,10,15H,6H2,(H2,14,17)
InChIKeyQLKVCENOTSISLZ-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
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 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide (CID 134374953) is 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide is NC(=O)C1CNC=C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide?
The InChIKey is QLKVCENOTSISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-8-3-1-7(2-4-8)9-5-15-6-10(11(9)16)12(14)17/h1-5,10,15H,6H2,(H2,14,17).
What are the key properties of 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide?
5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).