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

C17H14ClN3O — CID 84983901

IUPACN-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCc1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-17-14(21-11-5-4-8-15(21)20-17)9-10-16(22)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,22)
InChIKeyGQERMGRRDPGNKN-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.32
Rot. Bonds4

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

N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide (PubChem CID 84983901) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
PubChem CID84983901
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)nc2ccccn12)NCc1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-17-14(21-11-5-4-8-15(21)20-17)9-10-16(22)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,22)
InChIKeyGQERMGRRDPGNKN-UHFFFAOYSA-N
XLogP3.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]prop-2-enamide
CID 55710802
N-[2-(benzylsulfamoyl)ethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 76863470
[2-(benzylamino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735237
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]prop-2-enamide
CID 94201750
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480802
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884661
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 111463227
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079
propan-2-yl 3-[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]propanoate
CID 51110888
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]prop-2-enamide
CID 86896534

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide (CID 84983901) is N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide is O=C(C=Cc1c(Cl)nc2ccccn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
The InChIKey is GQERMGRRDPGNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-17-14(21-11-5-4-8-15(21)20-17)9-10-16(22)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,22).
What are the key properties of N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide?
N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide has a molecular weight of 311.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 84983901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).