1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

C17H20N2O — CID 82143926

IUPAC1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(C(C)CN)c(=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-3-5-15(10-13)6-7-16-8-9-19(14(2)12-18)17(20)11-16/h3-11,14H,12,18H2,1-2H3/b7-6+
InChIKeyIEPGXLAPMUXKNI-VOTSOKGWSA-N
MW268.36 g/mol
LogP2.85
Rot. Bonds4

About 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (PubChem CID 82143926) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
PubChem CID82143926
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(C(C)CN)c(=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-3-5-15(10-13)6-7-16-8-9-19(14(2)12-18)17(20)11-16/h3-11,14H,12,18H2,1-2H3/b7-6+
InChIKeyIEPGXLAPMUXKNI-VOTSOKGWSA-N
XLogP2.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (CID 82143926) is 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is Cc1cccc(/C=C/c2ccn(C(C)CN)c(=O)c2)c1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The InChIKey is IEPGXLAPMUXKNI-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-4-3-5-15(10-13)6-7-16-8-9-19(14(2)12-18)17(20)11-16/h3-11,14H,12,18H2,1-2H3/b7-6+.
What are the key properties of 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 82143926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).