2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C14H19N3O — CID 43477782

IUPAC2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCCN(CC)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H19N3O/c1-3-5-9-16(4-2)14-12(11-18)17-10-7-6-8-13(17)15-14/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyBTMRWDLPVMYWOE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds6

About 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477782) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477782
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCCCN(CC)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H19N3O/c1-3-5-9-16(4-2)14-12(11-18)17-10-7-6-8-13(17)15-14/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyBTMRWDLPVMYWOE-UHFFFAOYSA-N
XLogP2.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
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-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
CID 54988824
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
3-(2-aminobutyl)-N-butyl-N-ethylimidazo[1,2-a]pyridin-2-amine
CID 63786258
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
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-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102993970
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

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477782) is 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CCCCN(CC)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is BTMRWDLPVMYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-5-9-16(4-2)14-12(11-18)17-10-7-6-8-13(17)15-14/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 245.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).