5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one

C17H19N3O2 — CID 144601857

IUPAC5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(=O)n(-c2ccc(OCC)cc2C)c1
InChIInChI=1S/C17H19N3O2/c1-3-22-15-5-6-16(12(2)8-15)20-11-13(4-7-17(20)21)14(9-18)10-19/h4-11,18H,3,19H2,1-2H3/b14-10+,18-9+
InChIKeyMKOFTILKNVFEFZ-NQXHEMEXSA-N
MW297.36 g/mol
LogP2.49
Rot. Bonds5

About 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one

5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one (PubChem CID 144601857) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one
PubChem CID144601857
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(=O)n(-c2ccc(OCC)cc2C)c1
InChIInChI=1S/C17H19N3O2/c1-3-22-15-5-6-16(12(2)8-15)20-11-13(4-7-17(20)21)14(9-18)10-19/h4-11,18H,3,19H2,1-2H3/b14-10+,18-9+
InChIKeyMKOFTILKNVFEFZ-NQXHEMEXSA-N
XLogP2.49
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)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 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one?
The IUPAC name of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one (CID 144601857) is 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one is [H]/N=C/C(=C\N)c1ccc(=O)n(-c2ccc(OCC)cc2C)c1.
What is the InChIKey of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one?
The InChIKey is MKOFTILKNVFEFZ-NQXHEMEXSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-15-5-6-16(12(2)8-15)20-11-13(4-7-17(20)21)14(9-18)10-19/h4-11,18H,3,19H2,1-2H3/b14-10+,18-9+.
What are the key properties of 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one?
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-(4-ethoxy-2-methylphenyl)pyridin-2-one is sourced from PubChem (CID 144601857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).