3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile

C14H16N4O — CID 54988824

IUPAC3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H16N4O/c1-3-17(9-11(2)8-15)14-12(10-19)18-7-5-4-6-13(18)16-14/h4-7,10-11H,3,9H2,1-2H3
InChIKeyFHJXYAQMGMXBQP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.13
Rot. Bonds5

About 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile

3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile (PubChem CID 54988824) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
PubChem CID54988824
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H16N4O/c1-3-17(9-11(2)8-15)14-12(10-19)18-7-5-4-6-13(18)16-14/h4-7,10-11H,3,9H2,1-2H3
InChIKeyFHJXYAQMGMXBQP-UHFFFAOYSA-N
XLogP2.13
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile (CID 54988824) is 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1nc2ccccn2c1C=O.
What is the InChIKey of 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is FHJXYAQMGMXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-17(9-11(2)8-15)14-12(10-19)18-7-5-4-6-13(18)16-14/h4-7,10-11H,3,9H2,1-2H3.
What are the key properties of 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile?
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 256.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 54988824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).