3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

C17H15FN2O2 — CID 513273

IUPAC3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(Cc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C17H15FN2O2/c1-20-10-14(16(21)17(20)22)15-7-4-12(9-19-15)8-11-2-5-13(18)6-3-11/h2-7,9,21H,8,10H2,1H3
InChIKeyMUSKOIAODHQMSX-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.55
Rot. Bonds3

About 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one

3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 513273) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID513273
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(c2ccc(Cc3ccc(F)cc3)cn2)=C(O)C1=O
InChIInChI=1S/C17H15FN2O2/c1-20-10-14(16(21)17(20)22)15-7-4-12(9-19-15)8-11-2-5-13(18)6-3-11/h2-7,9,21H,8,10H2,1H3
InChIKeyMUSKOIAODHQMSX-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-6-(3-methylphenyl)-1H-pyridin-2-one
CID 139557792
6-butyl-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139576721
3-(4-fluorobenzyl)-4-hydroxy-1-[2-(2-pyridinyl)ethyl]-2(1H)-pyridinone
CID 54679772
(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridyl]-2-hydroxy-prop-2-enoic acid
CID 135541340
(4E)-4-(1-hydroxyethylidene)-5-[4-(propan-2-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 3141397
(E)-3-(4-(5-pentylpyridin-2-yl)phenyl)-1-(piperidin-1-yl)prop-2-en-1-one
CID 5942248
1-[4-(13-Fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14885628
1-[4-(14-Fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14885629
N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(2-pyridyl)pyrimidine-4-carboxamide
CID 135446352
3-[6-[2-(4-fluorophenyl)ethyl]pyrimidin-4-yl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135993376
6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139557802
CID 3155850
CID 3155850

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 513273) is 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(c2ccc(Cc3ccc(F)cc3)cn2)=C(O)C1=O.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is MUSKOIAODHQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20-10-14(16(21)17(20)22)15-7-4-12(9-19-15)8-11-2-5-13(18)6-3-11/h2-7,9,21H,8,10H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 298.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).