2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C14H18N4O3 — CID 61478101

About 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61478101) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 61478101
• Molecular Formula: C14H18N4O3
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.14
• IUPAC Name: 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CCCNC(=O)C(C)Nc1nc2ccccn2c1C(=O)O
• InChI: InChI=1S/C14H18N4O3/c1-3-7-15-13(19)9(2)16-12-11(14(20)21)18-8-5-4-6-10(18)17-12/h4-6,8-9,16H,3,7H2,1-2H3,(H,15,19)(H,20,21)
• InChIKey: HDJHAANRGJAEPM-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 95.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61478101) is 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CCCNC(=O)C(C)Nc1nc2ccccn2c1C(=O)O.

What is the InChIKey of 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is HDJHAANRGJAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-7-15-13(19)9(2)16-12-11(14(20)21)18-8-5-4-6-10(18)17-12/h4-6,8-9,16H,3,7H2,1-2H3,(H,15,19)(H,20,21).

What are the key properties of 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid?

2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61478101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).