1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one

C17H22N2O2 — CID 82144044

IUPAC1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
SMILESCCC(N)Cn1cccc(OCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-2-15(18)13-19-11-6-9-16(17(19)20)21-12-10-14-7-4-3-5-8-14/h3-9,11,15H,2,10,12-13,18H2,1H3
InChIKeyITBKKDNVECKIBE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds7

About 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one

1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one (PubChem CID 82144044) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
PubChem CID82144044
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
SMILESCCC(N)Cn1cccc(OCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-2-15(18)13-19-11-6-9-16(17(19)20)21-12-10-14-7-4-3-5-8-14/h3-9,11,15H,2,10,12-13,18H2,1H3
InChIKeyITBKKDNVECKIBE-UHFFFAOYSA-N
XLogP2.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
CID 82144040
1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
CID 82144038
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
2-(2-aminobutyl)isoquinolin-1-one
CID 79015270
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one?
The IUPAC name of 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one (CID 82144044) is 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one is CCC(N)Cn1cccc(OCCc2ccccc2)c1=O.
What is the InChIKey of 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one?
The InChIKey is ITBKKDNVECKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-15(18)13-19-11-6-9-16(17(19)20)21-12-10-14-7-4-3-5-8-14/h3-9,11,15H,2,10,12-13,18H2,1H3.
What are the key properties of 1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one?
1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.21, 7 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-phenylethoxy)pyridin-2-one is sourced from PubChem (CID 82144044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).