2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde

C16H23N3O — CID 43477823

IUPAC2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCCN(CCCC)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H23N3O/c1-3-5-10-18(11-6-4-2)16-14(13-20)19-12-8-7-9-15(19)17-16/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyONCLRBRJMGTHHI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds8

About 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477823) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477823
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCCN(CCCC)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H23N3O/c1-3-5-10-18(11-6-4-2)16-14(13-20)19-12-8-7-9-15(19)17-16/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKeyONCLRBRJMGTHHI-UHFFFAOYSA-N
XLogP3.55
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782
2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477763
2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
2-[(2-amino-2-oxoethyl)-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 62922613
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
CID 54988824
2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104552444
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-[3,3-dimethylbutan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55010912
2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 78974146
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 79477989
[2-[butyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478072

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477823) is 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde is CCCCN(CCCC)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is ONCLRBRJMGTHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-5-10-18(11-6-4-2)16-14(13-20)19-12-8-7-9-15(19)17-16/h7-9,12-13H,3-6,10-11H2,1-2H3.
What are the key properties of 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 273.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).