(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide

C24H20N2O3 — CID 55550342

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1OC
InChIInChI=1S/C24H20N2O3/c1-28-22-13-10-19(17-23(22)29-2)11-14-24(27)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-17H,1-2H3,(H,26,27)/b14-11+
InChIKeyUPKXNUMMXGRQOR-SDNWHVSQSA-N
MW384.44 g/mol
LogP4.15
Rot. Bonds5

About (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide (PubChem CID 55550342) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide
PubChem CID55550342
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1OC
InChIInChI=1S/C24H20N2O3/c1-28-22-13-10-19(17-23(22)29-2)11-14-24(27)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-17H,1-2H3,(H,26,27)/b14-11+
InChIKeyUPKXNUMMXGRQOR-SDNWHVSQSA-N
XLogP4.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-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)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide
CID 55540272
(E)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546294
(E)-3-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)prop-2-enamide
CID 30779152
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
2,4-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404262
4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 157466142
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
3-(3,4-dimethoxyphenyl)-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 991012
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-(3-ethynylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51330036

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide (CID 55550342) is (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide?
The InChIKey is UPKXNUMMXGRQOR-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-22-13-10-19(17-23(22)29-2)11-14-24(27)26-21-8-5-6-18(16-21)9-12-20-7-3-4-15-25-20/h3-8,10-11,13-17H,1-2H3,(H,26,27)/b14-11+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55550342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).