(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide

C19H22N2O3 — CID 20701385

IUPAC(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCOc1cc(CCN(C)C(=O)/C=C/c2cccnc2)cc(OC)c1
InChIInChI=1S/C19H22N2O3/c1-21(19(22)7-6-15-5-4-9-20-14-15)10-8-16-11-17(23-2)13-18(12-16)24-3/h4-7,9,11-14H,8,10H2,1-3H3/b7-6+
InChIKeyXWAGLADSAOHJJF-VOTSOKGWSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds7

About (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701385) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
PubChem CID20701385
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCOc1cc(CCN(C)C(=O)/C=C/c2cccnc2)cc(OC)c1
InChIInChI=1S/C19H22N2O3/c1-21(19(22)7-6-15-5-4-9-20-14-15)10-8-16-11-17(23-2)13-18(12-16)24-3/h4-7,9,11-14H,8,10H2,1-3H3/b7-6+
InChIKeyXWAGLADSAOHJJF-VOTSOKGWSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-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-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701398
(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701438
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 76940045
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
CID 85054999
(E)-N-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 23067304
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
(E)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701426
(E)-3-(5-chloro-3-pyridinyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 20701327
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide (CID 20701385) is (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide is COc1cc(CCN(C)C(=O)/C=C/c2cccnc2)cc(OC)c1.
What is the InChIKey of (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is XWAGLADSAOHJJF-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(19(22)7-6-15-5-4-9-20-14-15)10-8-16-11-17(23-2)13-18(12-16)24-3/h4-7,9,11-14H,8,10H2,1-3H3/b7-6+.
What are the key properties of (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).