1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one

C18H19FN2O3 — CID 18182200

IUPAC1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
SMILESCOCOc1ccc(N2CCC(F)C2=O)nc1Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3
InChIKeyQFYPWRZCUUUJRV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.73
Rot. Bonds6

About 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one

1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one (PubChem CID 18182200) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
PubChem CID18182200
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
SMILESCOCOc1ccc(N2CCC(F)C2=O)nc1Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3
InChIKeyQFYPWRZCUUUJRV-UHFFFAOYSA-N
XLogP2.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-6-benzyl-2-pyridinyl]pyrrolidin-2-one
CID 10112926
2-Benzyl-6-(3,3-ethylenedioxy-2-pyrrolidinone-1-yl)-3-pyridyl trifluoromethanesulfonate
CID 18182279
2-Benzyl-3-methoxymethyloxy-6-[(3r)-3-fluoro-2-pyrrolidinone-1-yl]pyridine
CID 21350203
6-[3-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-N,2,2-trimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 68340826
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
CID 69434327
(3S)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
CID 69760094
1-[5-[2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-6-benzyl-2-pyridinyl]pyrrolidin-2-one
CID 73739643
phenyl 6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
CID 118037025
6-[3-(3-fluoropyrrolidin-1-yl)phenyl]-3-methoxy-N-methylpyridin-2-amine
CID 123841004
(5R)-3-[[6-(azetidin-1-yl)-3-(2-methoxyphenyl)-2-pyridinyl]methyl]-5-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 126691830
Tert-butyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304337
Tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304341

Frequently Asked Questions

What is the IUPAC name of 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The IUPAC name of 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one (CID 18182200) is 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one.
What is the SMILES notation for 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The canonical SMILES for 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one is COCOc1ccc(N2CCC(F)C2=O)nc1Cc1ccccc1.
What is the InChIKey of 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The InChIKey is QFYPWRZCUUUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3.
What are the key properties of 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 18182200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).