5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one

C14H15FN2O2 — CID 43259980

IUPAC5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2O2/c15-11-3-1-4-13(9-11)19-8-2-7-17-10-12(16)5-6-14(17)18/h1,3-6,9-10H,2,7-8,16H2
InChIKeyIWGLHFVRVQSYEN-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.04
Rot. Bonds5

About 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one

5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one (PubChem CID 43259980) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
PubChem CID43259980
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCOc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2O2/c15-11-3-1-4-13(9-11)19-8-2-7-17-10-12(16)5-6-14(17)18/h1,3-6,9-10H,2,7-8,16H2
InChIKeyIWGLHFVRVQSYEN-UHFFFAOYSA-N
XLogP2.04
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
4-[3-(3-fluorophenoxy)propyl]aniline
CID 113384386
2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
CID 43609046
5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one
CID 102721710
5-amino-1-(2-quinolin-7-yloxyethyl)pyridin-2-one
CID 107313309
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-[3-[3-(2-methoxyethoxy)propoxy]propyl]pyridin-2-one
CID 103401156
5-amino-1-[3-(4-bromo-2,5-dichlorophenoxy)propyl]pyridin-2-one
CID 107656019
5-amino-1-[3-(2-cyclopropylethoxy)propyl]pyridin-2-one
CID 106199955
5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
CID 64601750
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one (CID 43259980) is 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCOc2cccc(F)c2)c1.
What is the InChIKey of 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one?
The InChIKey is IWGLHFVRVQSYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-11-3-1-4-13(9-11)19-8-2-7-17-10-12(16)5-6-14(17)18/h1,3-6,9-10H,2,7-8,16H2.
What are the key properties of 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one?
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one has a molecular weight of 262.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one is sourced from PubChem (CID 43259980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).