3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine

C13H16ClN3 — CID 79348237

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3/c1-2-8-15-9-5-6-11-13(14)16-12-7-3-4-10-17(11)12/h3-7,10,15H,2,8-9H2,1H3
InChIKeyGDZBIDJPMWUWRO-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.00
Rot. Bonds5

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine (PubChem CID 79348237) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine
PubChem CID79348237
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3/c1-2-8-15-9-5-6-11-13(14)16-12-7-3-4-10-17(11)12/h3-7,10,15H,2,8-9H2,1H3
InChIKeyGDZBIDJPMWUWRO-UHFFFAOYSA-N
XLogP3.00
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine (CID 79348237) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine is CCCNCC=Cc1c(Cl)nc2ccccn12.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine?
The InChIKey is GDZBIDJPMWUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-8-15-9-5-6-11-13(14)16-12-7-3-4-10-17(11)12/h3-7,10,15H,2,8-9H2,1H3.
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propylprop-2-en-1-amine has a molecular weight of 249.75 g/mol, XLogP of 3.00, 5 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-propylprop-2-en-1-amine is sourced from PubChem (CID 79348237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).