1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone

C18H17FN2O3 — CID 119052252

IUPAC1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1C(=O)c1cncc(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-5-3-12(4-6-14)17(23)9-15-2-1-7-21(15)18(24)13-8-16(22)11-20-10-13/h3-6,8,10-11,15,22H,1-2,7,9H2
InChIKeyQRENIDFJQWUEAI-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone (PubChem CID 119052252) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
PubChem CID119052252
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1C(=O)c1cncc(O)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-5-3-12(4-6-14)17(23)9-15-2-1-7-21(15)18(24)13-8-16(22)11-20-10-13/h3-6,8,10-11,15,22H,1-2,7,9H2
InChIKeyQRENIDFJQWUEAI-UHFFFAOYSA-N
XLogP2.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
1-(4-fluorophenyl)-2-[(2S)-1-(3-methyltriazole-4-carbonyl)pyrrolidin-2-yl]ethanone
CID 124740123
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
1-(4-fluorophenyl)-2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]ethanone
CID 124623314
1-(4-fluorophenyl)-2-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]ethanone
CID 128642802
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone (CID 119052252) is 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone is O=C(CC1CCCN1C(=O)c1cncc(O)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone?
The InChIKey is QRENIDFJQWUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-5-3-12(4-6-14)17(23)9-15-2-1-7-21(15)18(24)13-8-16(22)11-20-10-13/h3-6,8,10-11,15,22H,1-2,7,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone has a molecular weight of 328.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 119052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).