3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one

C19H26N2O — CID 82520520

IUPAC3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
SMILESCCc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)CC)cc1
InChIInChI=1S/C19H26N2O/c1-5-13(3)21-18(12-11-17(14(4)20)19(21)22)16-9-7-15(6-2)8-10-16/h7-14H,5-6,20H2,1-4H3
InChIKeyGLHBGWITPMXGFI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.07
Rot. Bonds5

About 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one

3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one (PubChem CID 82520520) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
PubChem CID82520520
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one
SMILESCCc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)CC)cc1
InChIInChI=1S/C19H26N2O/c1-5-13(3)21-18(12-11-17(14(4)20)19(21)22)16-9-7-15(6-2)8-10-16/h7-14H,5-6,20H2,1-4H3
InChIKeyGLHBGWITPMXGFI-UHFFFAOYSA-N
XLogP4.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-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-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
3-[amino(phenyl)methyl]-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524252
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
6-(4-ethylphenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82520654

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one (CID 82520520) is 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one is CCc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)CC)cc1.
What is the InChIKey of 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one?
The InChIKey is GLHBGWITPMXGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-13(3)21-18(12-11-17(14(4)20)19(21)22)16-9-7-15(6-2)8-10-16/h7-14H,5-6,20H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one?
3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one has a molecular weight of 298.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-butan-2-yl-6-(4-ethylphenyl)pyridin-2-one is sourced from PubChem (CID 82520520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).