(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one

C18H20FN3O — CID 95623647

IUPAC(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
SMILESCN(CCc1ccncc1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H20FN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3/t17-/m1/s1
InChIKeyCEGGDIBYXRQUDU-QGZVFWFLSA-N
MW313.38 g/mol
LogP2.50
Rot. Bonds5

About (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one (PubChem CID 95623647) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
PubChem CID95623647
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
SMILESCN(CCc1ccncc1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H20FN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3/t17-/m1/s1
InChIKeyCEGGDIBYXRQUDU-QGZVFWFLSA-N
XLogP2.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one (CID 95623647) is (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one is CN(CCc1ccncc1)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The InChIKey is CEGGDIBYXRQUDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one has a molecular weight of 313.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95623647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).