(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide

C20H19N3O3 — CID 71802026

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O3/c1-2-22(13-16-12-21-19-5-3-4-10-23(16)19)20(24)9-7-15-6-8-17-18(11-15)26-14-25-17/h3-12H,2,13-14H2,1H3/b9-7+
InChIKeyWHZIPKUPOMIHCK-VQHVLOKHSA-N
MW349.39 g/mol
LogP3.12
Rot. Bonds5

About (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 71802026) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide
PubChem CID71802026
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O3/c1-2-22(13-16-12-21-19-5-3-4-10-23(16)19)20(24)9-7-15-6-8-17-18(11-15)26-14-25-17/h3-12H,2,13-14H2,1H3/b9-7+
InChIKeyWHZIPKUPOMIHCK-VQHVLOKHSA-N
XLogP3.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 123527909
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
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3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylphenyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide (CID 71802026) is (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide is CCN(Cc1cnc2ccccn12)C(=O)/C=C/c1ccc2c(c1)OCO2.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is WHZIPKUPOMIHCK-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-22(13-16-12-21-19-5-3-4-10-23(16)19)20(24)9-7-15-6-8-17-18(11-15)26-14-25-17/h3-12H,2,13-14H2,1H3/b9-7+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 71802026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).