N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C17H18N2O3 — CID 1486107

IUPACN-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O
InChIInChI=1S/C17H18N2O3/c1-3-11-19-12-5-6-15(17(19)21)16(20)18-13-7-9-14(10-8-13)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,18,20)
InChIKeyIEFIUEHUSCUZIM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.69
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486107) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486107
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O
InChIInChI=1S/C17H18N2O3/c1-3-11-19-12-5-6-15(17(19)21)16(20)18-13-7-9-14(10-8-13)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,18,20)
InChIKeyIEFIUEHUSCUZIM-UHFFFAOYSA-N
XLogP2.69
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide 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 N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486107) is N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O.
What is the InChIKey of N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is IEFIUEHUSCUZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-11-19-12-5-6-15(17(19)21)16(20)18-13-7-9-14(10-8-13)22-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).