(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one

C20H24FN3O — CID 125160339

IUPAC(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1F
InChIInChI=1S/C20H24FN3O/c1-15-5-6-16(12-19(15)21)14-24-18(7-8-20(24)25)9-11-22-13-17-4-2-3-10-23-17/h2-6,10,12,18,22H,7-9,11,13-14H2,1H3/t18-/m1/s1
InChIKeyFYYUWMWDETZHML-GOSISDBHSA-N
MW341.43 g/mol
LogP3.20
Rot. Bonds7

About (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one

(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one (PubChem CID 125160339) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
PubChem CID125160339
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1F
InChIInChI=1S/C20H24FN3O/c1-15-5-6-16(12-19(15)21)14-24-18(7-8-20(24)25)9-11-22-13-17-4-2-3-10-23-17/h2-6,10,12,18,22H,7-9,11,13-14H2,1H3/t18-/m1/s1
InChIKeyFYYUWMWDETZHML-GOSISDBHSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45195483
(5S)-1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125165519
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 26317065
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355058
(5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355055
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 42330575
(5R)-1-[(3-fluorophenyl)methyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42377292
1-[(2,6-difluorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45180876
(5S)-1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125163435
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-2-one
CID 118754202
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one (CID 125160339) is (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one is Cc1ccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1F.
What is the InChIKey of (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is FYYUWMWDETZHML-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-5-6-16(12-19(15)21)14-24-18(7-8-20(24)25)9-11-22-13-17-4-2-3-10-23-17/h2-6,10,12,18,22H,7-9,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one?
(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 125160339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).