2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C14H17N3O — CID 55126139

IUPAC2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(CC1CCC1)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H17N3O/c1-16(9-11-5-4-6-11)14-12(10-18)17-8-3-2-7-13(17)15-14/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyLMIZGXGSQNGIHW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

About 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 55126139) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID55126139
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(CC1CCC1)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H17N3O/c1-16(9-11-5-4-6-11)14-12(10-18)17-8-3-2-7-13(17)15-14/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyLMIZGXGSQNGIHW-UHFFFAOYSA-N
XLogP2.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 55126139) is 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CN(CC1CCC1)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is LMIZGXGSQNGIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16(9-11-5-4-6-11)14-12(10-18)17-8-3-2-7-13(17)15-14/h2-3,7-8,10-11H,4-6,9H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 55126139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).