3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal

C13H17N3O — CID 169171145

IUPAC3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal
SMILESCCN(CCC=O)Cc1ccn2ccnc2c1
InChIInChI=1S/C13H17N3O/c1-2-15(6-3-9-17)11-12-4-7-16-8-5-14-13(16)10-12/h4-5,7-10H,2-3,6,11H2,1H3
InChIKeySZCYDGKCYUKWAJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds6

About 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal

3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal (PubChem CID 169171145) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal
PubChem CID169171145
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal
SMILESCCN(CCC=O)Cc1ccn2ccnc2c1
InChIInChI=1S/C13H17N3O/c1-2-15(6-3-9-17)11-12-4-7-16-8-5-14-13(16)10-12/h4-5,7-10H,2-3,6,11H2,1H3
InChIKeySZCYDGKCYUKWAJ-UHFFFAOYSA-N
XLogP1.75
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
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 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal?
The IUPAC name of 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal (CID 169171145) is 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal.
What is the SMILES notation for 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal?
The canonical SMILES for 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal is CCN(CCC=O)Cc1ccn2ccnc2c1.
What is the InChIKey of 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal?
The InChIKey is SZCYDGKCYUKWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-15(6-3-9-17)11-12-4-7-16-8-5-14-13(16)10-12/h4-5,7-10H,2-3,6,11H2,1H3.
What are the key properties of 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal?
3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal has a molecular weight of 231.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(imidazo[1,2-a]pyridin-7-ylmethyl)amino]propanal is sourced from PubChem (CID 169171145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).