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

C17H14ClN3O — CID 84985160

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1
InChIInChI=1S/C17H14ClN3O/c1-12-5-4-6-13(11-12)19-16(22)9-8-14-17(18)20-15-7-2-3-10-21(14)15/h2-11H,1H3,(H,19,22)
InChIKeyIQWFMDBXRZPDJC-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.95
Rot. Bonds3

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

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 84985160) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID84985160
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1
InChIInChI=1S/C17H14ClN3O/c1-12-5-4-6-13(11-12)19-16(22)9-8-14-17(18)20-15-7-2-3-10-21(14)15/h2-11H,1H3,(H,19,22)
InChIKeyIQWFMDBXRZPDJC-UHFFFAOYSA-N
XLogP3.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.95
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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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735155
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141132
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)prop-2-enamide
CID 26264961
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 92511044
3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 75526011
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 26908510
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 26590143
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide (CID 84985160) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)C=Cc2c(Cl)nc3ccccn23)c1.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is IQWFMDBXRZPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-5-4-6-13(11-12)19-16(22)9-8-14-17(18)20-15-7-2-3-10-21(14)15/h2-11H,1H3,(H,19,22).
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 311.77 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 84985160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).