(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide

C22H16ClN3O — CID 1116418

IUPAC(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C22H16ClN3O/c23-18-12-13-19-24-21(17-9-5-2-6-10-17)22(26(19)15-18)25-20(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,25,27)/b14-11+
InChIKeyHDAHLTKOXVYKJO-SDNWHVSQSA-N
MW373.84 g/mol
LogP5.31
Rot. Bonds4

About (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide

(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide (PubChem CID 1116418) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide
PubChem CID1116418
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C22H16ClN3O/c23-18-12-13-19-24-21(17-9-5-2-6-10-17)22(26(19)15-18)25-20(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,25,27)/b14-11+
InChIKeyHDAHLTKOXVYKJO-SDNWHVSQSA-N
XLogP5.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide (CID 1116418) is (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12.
What is the InChIKey of (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide?
The InChIKey is HDAHLTKOXVYKJO-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-12-13-19-24-21(17-9-5-2-6-10-17)22(26(19)15-18)25-20(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,25,27)/b14-11+.
What are the key properties of (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide?
(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide has a molecular weight of 373.84 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1116418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).