1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one

C11H17FN2O2 — CID 156563407

IUPAC1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
SMILESCCCOc1cc(NC)cn(C(C)F)c1=O
InChIInChI=1S/C11H17FN2O2/c1-4-5-16-10-6-9(13-3)7-14(8(2)12)11(10)15/h6-8,13H,4-5H2,1-3H3
InChIKeyOAWFHJGQZIAIRV-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.17
Rot. Bonds5

About 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one

1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one (PubChem CID 156563407) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one.

Molecular Properties

Compound Name1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
PubChem CID156563407
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
SMILESCCCOc1cc(NC)cn(C(C)F)c1=O
InChIInChI=1S/C11H17FN2O2/c1-4-5-16-10-6-9(13-3)7-14(8(2)12)11(10)15/h6-8,13H,4-5H2,1-3H3
InChIKeyOAWFHJGQZIAIRV-UHFFFAOYSA-N
XLogP2.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The IUPAC name of 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one (CID 156563407) is 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one.
What is the SMILES notation for 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The canonical SMILES for 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one is CCCOc1cc(NC)cn(C(C)F)c1=O.
What is the InChIKey of 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The InChIKey is OAWFHJGQZIAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-4-5-16-10-6-9(13-3)7-14(8(2)12)11(10)15/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one?
1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one has a molecular weight of 228.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one is sourced from PubChem (CID 156563407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).