1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide

C16H14FN3O2 — CID 6493309

IUPAC1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FN3O2/c17-12-1-3-14(4-2-12)20-10-11(9-15(20)21)16(22)19-13-5-7-18-8-6-13/h1-8,11H,9-10H2,(H,18,19,22)
InChIKeyVKYSWYDFVVBTMS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 6493309) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID6493309
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FN3O2/c17-12-1-3-14(4-2-12)20-10-11(9-15(20)21)16(22)19-13-5-7-18-8-6-13/h1-8,11H,9-10H2,(H,18,19,22)
InChIKeyVKYSWYDFVVBTMS-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 6493309) is 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide is O=C(Nc1ccncc1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is VKYSWYDFVVBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-1-3-14(4-2-12)20-10-11(9-15(20)21)16(22)19-13-5-7-18-8-6-13/h1-8,11H,9-10H2,(H,18,19,22).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6493309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).