1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione

C14H14FN3O3 — CID 126851202

IUPAC1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1cncc(F)c1)N1CC(CN2C(=O)CCC2=O)C1
InChIInChI=1S/C14H14FN3O3/c15-11-3-10(4-16-5-11)14(21)17-6-9(7-17)8-18-12(19)1-2-13(18)20/h3-5,9H,1-2,6-8H2
InChIKeyJKSYTMPGGWZTKU-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.44
Rot. Bonds3

About 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione

1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 126851202) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
PubChem CID126851202
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1cncc(F)c1)N1CC(CN2C(=O)CCC2=O)C1
InChIInChI=1S/C14H14FN3O3/c15-11-3-10(4-16-5-11)14(21)17-6-9(7-17)8-18-12(19)1-2-13(18)20/h3-5,9H,1-2,6-8H2
InChIKeyJKSYTMPGGWZTKU-UHFFFAOYSA-N
XLogP0.44
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone
CID 154583688
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
(5-fluoro-3-pyridinyl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 124574317
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851197
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione (CID 126851202) is 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione is O=C(c1cncc(F)c1)N1CC(CN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is JKSYTMPGGWZTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-3-10(4-16-5-11)14(21)17-6-9(7-17)8-18-12(19)1-2-13(18)20/h3-5,9H,1-2,6-8H2.
What are the key properties of 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione?
1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 291.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126851202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).