3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one

C16H19FN2O — CID 82519555

IUPAC3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(F)cc2)ccc(C(C)N)c1=O
InChIInChI=1S/C16H19FN2O/c1-3-10-19-15(12-4-6-13(17)7-5-12)9-8-14(11(2)18)16(19)20/h4-9,11H,3,10,18H2,1-2H3
InChIKeyVNSKFRXQKHTIKI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.08
Rot. Bonds4

About 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one

3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one (PubChem CID 82519555) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
PubChem CID82519555
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(F)cc2)ccc(C(C)N)c1=O
InChIInChI=1S/C16H19FN2O/c1-3-10-19-15(12-4-6-13(17)7-5-12)9-8-14(11(2)18)16(19)20/h4-9,11H,3,10,18H2,1-2H3
InChIKeyVNSKFRXQKHTIKI-UHFFFAOYSA-N
XLogP3.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
CID 82520520
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444034
1-ethyl-5-(4-fluorophenyl)pyrrol-2-amine
CID 117223103
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
CID 82519615

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one (CID 82519555) is 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(F)cc2)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The InChIKey is VNSKFRXQKHTIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-10-19-15(12-4-6-13(17)7-5-12)9-8-14(11(2)18)16(19)20/h4-9,11H,3,10,18H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one has a molecular weight of 274.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).