1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one

C17H20N2O — CID 82063295

IUPAC1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
SMILESCCc1ccc(/C=C/c2ccn(CCN)c(=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-19(12-10-18)17(20)13-16/h3-9,11,13H,2,10,12,18H2,1H3/b8-7+
InChIKeyIOKATBNWBRDYHE-BQYQJAHWSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one

1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one (PubChem CID 82063295) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
PubChem CID82063295
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
SMILESCCc1ccc(/C=C/c2ccn(CCN)c(=O)c2)cc1
InChIInChI=1S/C17H20N2O/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-19(12-10-18)17(20)13-16/h3-9,11,13H,2,10,12,18H2,1H3/b8-7+
InChIKeyIOKATBNWBRDYHE-BQYQJAHWSA-N
XLogP2.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]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

1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 94746444
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
3-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanethioamide
CID 82151233
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
CID 82152044
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide
CID 82151350
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450
1,4-diethylpyridin-2-one;ethane
CID 164562060
1-ethyl-2-oxopyridine-4-carbaldehyde
CID 105429532

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one (CID 82063295) is 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one is CCc1ccc(/C=C/c2ccn(CCN)c(=O)c2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The InChIKey is IOKATBNWBRDYHE-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-19(12-10-18)17(20)13-16/h3-9,11,13H,2,10,12,18H2,1H3/b8-7+.
What are the key properties of 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 82063295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).