1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one

C16H19FN2O2 — CID 82144038

IUPAC1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
SMILESCCC(N)Cn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C16H19FN2O2/c1-2-13(18)10-19-9-5-8-15(16(19)20)21-11-12-6-3-4-7-14(12)17/h3-9,13H,2,10-11,18H2,1H3
InChIKeyXDBKMIJDGRSEOH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.30
Rot. Bonds6

About 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one

1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 82144038) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
PubChem CID82144038
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
SMILESCCC(N)Cn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C16H19FN2O2/c1-2-13(18)10-19-9-5-8-15(16(19)20)21-11-12-6-3-4-7-14(12)17/h3-9,13H,2,10-11,18H2,1H3
InChIKeyXDBKMIJDGRSEOH-UHFFFAOYSA-N
XLogP2.30
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044
1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
CID 82144040
3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
CID 94757858
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
CID 82143632
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
(2R)-1-[5-[(2-fluorophenyl)methoxy]indol-1-yl]propan-2-amine
CID 168939605
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one (CID 82144038) is 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one is CCC(N)Cn1cccc(OCc2ccccc2F)c1=O.
What is the InChIKey of 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is XDBKMIJDGRSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-13(18)10-19-9-5-8-15(16(19)20)21-11-12-6-3-4-7-14(12)17/h3-9,13H,2,10-11,18H2,1H3.
What are the key properties of 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one?
1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 82144038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).