2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C14H15N3O — CID 43477763

IUPAC2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESC=CCN(CC=C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H15N3O/c1-3-8-16(9-4-2)14-12(11-18)17-10-6-5-7-13(17)15-14/h3-7,10-11H,1-2,8-9H2
InChIKeyBEVQPCTXWQAWPQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.33
Rot. Bonds6

About 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477763) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477763
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESC=CCN(CC=C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H15N3O/c1-3-8-16(9-4-2)14-12(11-18)17-10-6-5-7-13(17)15-14/h3-7,10-11H,1-2,8-9H2
InChIKeyBEVQPCTXWQAWPQ-UHFFFAOYSA-N
XLogP2.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 62922613
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782
2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
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-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104552444
2-[3,3-dimethylbutan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55010912
2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477821
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

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477763) is 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is C=CCN(CC=C)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is BEVQPCTXWQAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-8-16(9-4-2)14-12(11-18)17-10-6-5-7-13(17)15-14/h3-7,10-11H,1-2,8-9H2.
What are the key properties of 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).