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

C16H14FN3O2 — CID 6460126

IUPAC1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyLAHDIYSJYSYHHF-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.21
Rot. Bonds3

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

1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 6460126) 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-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID6460126
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14FN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyLAHDIYSJYSYHHF-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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Related Compounds

N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 24820064
1-(4-Fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2927789
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
1-(Pyridin-3-yl)pyrrolidine-2,5-dione
CID 2737832
1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 645684
3-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide
CID 1370541
1-(4-methylphenyl)-5-oxo-N-(pyridin-4-yl)pyrrolidine-3-carboxamide
CID 2963146
N-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3244671
5-oxo-1-(2-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 4047579
N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 9550661
(R)-3-amino-1-((S)-2-((6-(trifluoromethyl)pyridin-3-ylamino)methyl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45267530

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 6460126) is 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cccnc1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LAHDIYSJYSYHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-3-5-14(6-4-12)20-10-11(8-15(20)21)16(22)19-13-2-1-7-18-9-13/h1-7,9,11H,8,10H2,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-pyridin-3-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-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6460126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).