(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

C17H14ClN3O2 — CID 2349294

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+
InChIKeyRRSXKQQQHALWBX-MDZDMXLPSA-N
MW327.77 g/mol
LogP3.65
Rot. Bonds4

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 2349294) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID2349294
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+
InChIKeyRRSXKQQQHALWBX-MDZDMXLPSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide (CID 2349294) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is RRSXKQQQHALWBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-13-7-5-12(6-8-13)19-16(22)10-9-14-17(18)20-15-4-2-3-11-21(14)15/h2-11H,1H3,(H,19,22)/b10-9+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 327.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 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-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2349294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).