3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one

C17H21FN2O2 — CID 58808633

IUPAC3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CN3CCC(F)C3)o2)c(C)[nH]c1=O
InChIInChI=1S/C17H21FN2O2/c1-3-12-8-15(11(2)19-17(12)21)16-5-4-14(22-16)10-20-7-6-13(18)9-20/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyIQGYXEHUEZIJQW-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.05
Rot. Bonds4

About 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one

3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 58808633) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID58808633
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CN3CCC(F)C3)o2)c(C)[nH]c1=O
InChIInChI=1S/C17H21FN2O2/c1-3-12-8-15(11(2)19-17(12)21)16-5-4-14(22-16)10-20-7-6-13(18)9-20/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyIQGYXEHUEZIJQW-UHFFFAOYSA-N
XLogP3.05
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one (CID 58808633) is 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one is CCc1cc(-c2ccc(CN3CCC(F)C3)o2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is IQGYXEHUEZIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-3-12-8-15(11(2)19-17(12)21)16-5-4-14(22-16)10-20-7-6-13(18)9-20/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one?
3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 304.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-[(3-fluoropyrrolidin-1-yl)methyl]furan-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58808633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).