3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one

C17H22N2O3 — CID 82189395

IUPAC3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(-c2ccccc2OC)ccc(CN)c1=O
InChIInChI=1S/C17H22N2O3/c1-21-11-5-10-19-15(9-8-13(12-18)17(19)20)14-6-3-4-7-16(14)22-2/h3-4,6-9H,5,10-12,18H2,1-2H3
InChIKeyXJXXXJARFWTPCH-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds7

About 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one

3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82189395) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82189395
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1c(-c2ccccc2OC)ccc(CN)c1=O
InChIInChI=1S/C17H22N2O3/c1-21-11-5-10-19-15(9-8-13(12-18)17(19)20)14-6-3-4-7-16(14)22-2/h3-4,6-9H,5,10-12,18H2,1-2H3
InChIKeyXJXXXJARFWTPCH-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
3-(aminomethyl)-1-butyl-6-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 82189672
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
3-amino-6-(2-ethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82466998
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
3-amino-6-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82467142
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one (CID 82189395) is 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one is COCCCn1c(-c2ccccc2OC)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is XJXXXJARFWTPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-11-5-10-19-15(9-8-13(12-18)17(19)20)14-6-3-4-7-16(14)22-2/h3-4,6-9H,5,10-12,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one?
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82189395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).