3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one

C17H22N2O2 — CID 82525413

IUPAC3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(N)c2ccc(OC)c(C)c2)c1=O
InChIInChI=1S/C17H22N2O2/c1-5-19-12(3)6-8-14(17(19)20)16(18)13-7-9-15(21-4)11(2)10-13/h6-10,16H,5,18H2,1-4H3
InChIKeyHYNBMUKPKCEBCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds4

About 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one

3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one (PubChem CID 82525413) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
PubChem CID82525413
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(N)c2ccc(OC)c(C)c2)c1=O
InChIInChI=1S/C17H22N2O2/c1-5-19-12(3)6-8-14(17(19)20)16(18)13-7-9-15(21-4)11(2)10-13/h6-10,16H,5,18H2,1-4H3
InChIKeyHYNBMUKPKCEBCZ-UHFFFAOYSA-N
XLogP2.54
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-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

3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-cyclopropylpyridin-2-one
CID 82527052
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one?
The IUPAC name of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one (CID 82525413) is 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one is CCn1c(C)ccc(C(N)c2ccc(OC)c(C)c2)c1=O.
What is the InChIKey of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one?
The InChIKey is HYNBMUKPKCEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-19-12(3)6-8-14(17(19)20)16(18)13-7-9-15(21-4)11(2)10-13/h6-10,16H,5,18H2,1-4H3.
What are the key properties of 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one?
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one is sourced from PubChem (CID 82525413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).