(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide

C20H20ClN3O2 — CID 34864567

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-16-9-7-15(8-10-16)14-23(2)19(25)12-11-17-20(21)22-18-6-4-5-13-24(17)18/h4-13H,3,14H2,1-2H3/b12-11+
InChIKeyFFMOWWIVAGPYBR-VAWYXSNFSA-N
MW369.85 g/mol
LogP4.06
Rot. Bonds6

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide (PubChem CID 34864567) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide
PubChem CID34864567
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-16-9-7-15(8-10-16)14-23(2)19(25)12-11-17-20(21)22-18-6-4-5-13-24(17)18/h4-13H,3,14H2,1-2H3/b12-11+
InChIKeyFFMOWWIVAGPYBR-VAWYXSNFSA-N
XLogP4.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide
CID 26994192
(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
CID 98667077
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 31748403
(2-ethoxyphenyl)methyl (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735447
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734890
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide
CID 26622519
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734518
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]prop-2-enamide
CID 36784453
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 9456514
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8951310

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide (CID 34864567) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide is CCOc1ccc(CN(C)C(=O)/C=C/c2c(Cl)nc3ccccn23)cc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is FFMOWWIVAGPYBR-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-26-16-9-7-15(8-10-16)14-23(2)19(25)12-11-17-20(21)22-18-6-4-5-13-24(17)18/h4-13H,3,14H2,1-2H3/b12-11+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 369.85 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 34864567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).