1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

C19H21FN2O3 — CID 124609289

IUPAC1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-13-8-17(23)11-18(24)22(13)12-19(25)21-7-3-6-16(21)10-14-4-2-5-15(20)9-14/h2,4-5,8-9,11,16,23H,3,6-7,10,12H2,1H3/t16-/m0/s1
InChIKeyGAHBDFNHGDRFSU-INIZCTEOSA-N
MW344.39 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one

1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 124609289) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID124609289
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-13-8-17(23)11-18(24)22(13)12-19(25)21-7-3-6-16(21)10-14-4-2-5-15(20)9-14/h2,4-5,8-9,11,16,23H,3,6-7,10,12H2,1H3/t16-/m0/s1
InChIKeyGAHBDFNHGDRFSU-INIZCTEOSA-N
XLogP2.24
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

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Related Compounds

2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
2-[2-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 94106765
2-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 94106766
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120589509
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 55808363
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
3-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 86917277
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one (CID 124609289) is 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1.
What is the InChIKey of 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is GAHBDFNHGDRFSU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13-8-17(23)11-18(24)22(13)12-19(25)21-7-3-6-16(21)10-14-4-2-5-15(20)9-14/h2,4-5,8-9,11,16,23H,3,6-7,10,12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one?
1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 124609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).