2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H18N4O2 — CID 61404427

IUPAC2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCNCCCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H18N4O2/c1-2-14-7-5-8-15-12-11(13(18)19)17-9-4-3-6-10(17)16-12/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyHPPFEBYBISAEOW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds7

About 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61404427) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61404427
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCNCCCNc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H18N4O2/c1-2-14-7-5-8-15-12-11(13(18)19)17-9-4-3-6-10(17)16-12/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,18,19)
InChIKeyHPPFEBYBISAEOW-UHFFFAOYSA-N
XLogP1.44
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 113480060
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540
2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79559479
2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114116516
2-(pent-1-yn-3-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114161382
2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61478101
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61404427) is 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is CCNCCCNc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is HPPFEBYBISAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-14-7-5-8-15-12-11(13(18)19)17-9-4-3-6-10(17)16-12/h3-4,6,9,14-15H,2,5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61404427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).