6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one

C17H22N2O3 — CID 82517620

IUPAC6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
SMILESCCCNCc1ccc(-c2ccc(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-9-18-11-13-5-7-14(19-17(13)20)12-6-8-15(21-2)16(10-12)22-3/h5-8,10,18H,4,9,11H2,1-3H3,(H,19,20)
InChIKeyAXEZTUOBJQQLAT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one

6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one (PubChem CID 82517620) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
PubChem CID82517620
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
SMILESCCCNCc1ccc(-c2ccc(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-9-18-11-13-5-7-14(19-17(13)20)12-6-8-15(21-2)16(10-12)22-3/h5-8,10,18H,4,9,11H2,1-3H3,(H,19,20)
InChIKeyAXEZTUOBJQQLAT-UHFFFAOYSA-N
XLogP2.56
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
3-(ethylaminomethyl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518160
3-[(2-methoxyethylamino)methyl]-6-(4-methoxyphenyl)-1H-pyridin-2-one
CID 82518152
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
N-[[2-methoxy-5-(5-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 65099654
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
2-(3-bromo-4-methoxyphenyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136827172

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one (CID 82517620) is 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one is CCCNCc1ccc(-c2ccc(OC)c(OC)c2)[nH]c1=O.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one?
The InChIKey is AXEZTUOBJQQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-9-18-11-13-5-7-14(19-17(13)20)12-6-8-15(21-2)16(10-12)22-3/h5-8,10,18H,4,9,11H2,1-3H3,(H,19,20).
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one?
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82517620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).