3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one

C18H24N2O2 — CID 82518457

IUPAC3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2cccc(OC)c2)ccc(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-3-4-5-11-20-17(10-9-15(13-19)18(20)21)14-7-6-8-16(12-14)22-2/h6-10,12H,3-5,11,13,19H2,1-2H3
InChIKeyOUEGMRAEZITDCG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.17
Rot. Bonds7

About 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one

3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one (PubChem CID 82518457) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
PubChem CID82518457
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2cccc(OC)c2)ccc(CN)c1=O
InChIInChI=1S/C18H24N2O2/c1-3-4-5-11-20-17(10-9-15(13-19)18(20)21)14-7-6-8-16(12-14)22-2/h6-10,12H,3-5,11,13,19H2,1-2H3
InChIKeyOUEGMRAEZITDCG-UHFFFAOYSA-N
XLogP3.17
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.17
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

3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517042
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 82189452
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one (CID 82518457) is 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one is CCCCCn1c(-c2cccc(OC)c2)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one?
The InChIKey is OUEGMRAEZITDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-4-5-11-20-17(10-9-15(13-19)18(20)21)14-7-6-8-16(12-14)22-2/h6-10,12H,3-5,11,13,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one?
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one is sourced from PubChem (CID 82518457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).