2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

C17H18FN3O — CID 53185361

IUPAC2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C17H18FN3O/c18-16-6-2-1-4-13(16)10-17(22)21-9-7-15(12-21)20-14-5-3-8-19-11-14/h1-6,8,11,15,20H,7,9-10,12H2
InChIKeyXXKYWLQRCKOVJU-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 53185361) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID53185361
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C17H18FN3O/c18-16-6-2-1-4-13(16)10-17(22)21-9-7-15(12-21)20-14-5-3-8-19-11-14/h1-6,8,11,15,20H,7,9-10,12H2
InChIKeyXXKYWLQRCKOVJU-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone (CID 53185361) is 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is XXKYWLQRCKOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-16-6-2-1-4-13(16)10-17(22)21-9-7-15(12-21)20-14-5-3-8-19-11-14/h1-6,8,11,15,20H,7,9-10,12H2.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 299.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 53185361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).