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

C17H16N4O — CID 6479698

IUPAC(E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)cn2c1
InChIInChI=1S/C17H16N4O/c1-19-17(22)9-14(12-5-3-2-4-6-12)13-7-8-16-20-15(18)11-21(16)10-13/h2-11H,18H2,1H3,(H,19,22)/b14-9+
InChIKeyVGPARLAFMXWGDQ-NTEUORMPSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds3

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

(E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 6479698) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID6479698
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)cn2c1
InChIInChI=1S/C17H16N4O/c1-19-17(22)9-14(12-5-3-2-4-6-12)13-7-8-16-20-15(18)11-21(16)10-13/h2-11H,18H2,1H3,(H,19,22)/b14-9+
InChIKeyVGPARLAFMXWGDQ-NTEUORMPSA-N
XLogP2.09
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
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-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide (CID 6479698) is (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)cn2c1.
What is the InChIKey of (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is VGPARLAFMXWGDQ-NTEUORMPSA-N. The full InChI is InChI=1S/C17H16N4O/c1-19-17(22)9-14(12-5-3-2-4-6-12)13-7-8-16-20-15(18)11-21(16)10-13/h2-11H,18H2,1H3,(H,19,22)/b14-9+.
What are the key properties of (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide?
(E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminoimidazo[1,2-a]pyridin-6-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6479698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).