(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide

C15H13ClN2O2 — CID 86992530

IUPAC(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccn2)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-20-14-7-5-12(10-13(14)16)18-15(19)8-6-11-4-2-3-9-17-11/h2-10H,1H3,(H,18,19)/b8-6+
InChIKeyGCKPDWLQHLKMPC-SOFGYWHQSA-N
MW288.73 g/mol
LogP3.40
Rot. Bonds4

About (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 86992530) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID86992530
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccn2)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-20-14-7-5-12(10-13(14)16)18-15(19)8-6-11-4-2-3-9-17-11/h2-10H,1H3,(H,18,19)/b8-6+
InChIKeyGCKPDWLQHLKMPC-SOFGYWHQSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide 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

(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 51057386
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
(E)-3-(5-bromothiophen-2-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 26822894
(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 874767
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 94630116
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide (CID 86992530) is (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccccn2)cc1Cl.
What is the InChIKey of (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is GCKPDWLQHLKMPC-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-14-7-5-12(10-13(14)16)18-15(19)8-6-11-4-2-3-9-17-11/h2-10H,1H3,(H,18,19)/b8-6+.
What are the key properties of (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 288.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 86992530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).