3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C16H19N3O2 — CID 39122077

IUPAC3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESC=CCN(CC=C)Cc1c(C(=O)O)nc2cc(C)ccn12
InChIInChI=1S/C16H19N3O2/c1-4-7-18(8-5-2)11-13-15(16(20)21)17-14-10-12(3)6-9-19(13)14/h4-6,9-10H,1-2,7-8,11H2,3H3,(H,20,21)
InChIKeyAABHRLZUBIDMIY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.51
Rot. Bonds7

About 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39122077) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39122077
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESC=CCN(CC=C)Cc1c(C(=O)O)nc2cc(C)ccn12
InChIInChI=1S/C16H19N3O2/c1-4-7-18(8-5-2)11-13-15(16(20)21)17-14-10-12(3)6-9-19(13)14/h4-6,9-10H,1-2,7-8,11H2,3H3,(H,20,21)
InChIKeyAABHRLZUBIDMIY-UHFFFAOYSA-N
XLogP2.51
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 39122077) is 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is C=CCN(CC=C)Cc1c(C(=O)O)nc2cc(C)ccn12.
What is the InChIKey of 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is AABHRLZUBIDMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-7-18(8-5-2)11-13-15(16(20)21)17-14-10-12(3)6-9-19(13)14/h4-6,9-10H,1-2,7-8,11H2,3H3,(H,20,21).
What are the key properties of 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39122077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).