1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one

C17H22N2O2 — CID 62879646

IUPAC1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2O2/c1-3-10-18-17(13-19-11-8-15(20)9-12-19)14-4-6-16(21-2)7-5-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3
InChIKeyVBWPBEQYCFCXOF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.60
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one

1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one (PubChem CID 62879646) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
PubChem CID62879646
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNC(Cn1ccc(=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2O2/c1-3-10-18-17(13-19-11-8-15(20)9-12-19)14-4-6-16(21-2)7-5-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3
InChIKeyVBWPBEQYCFCXOF-UHFFFAOYSA-N
XLogP2.60
TPSA43.26 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879481
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579653
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491666
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64652367
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one (CID 62879646) is 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one is CCCNC(Cn1ccc(=O)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one?
The InChIKey is VBWPBEQYCFCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-18-17(13-19-11-8-15(20)9-12-19)14-4-6-16(21-2)7-5-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one?
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one has a molecular weight of 286.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 62879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).