2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

C13H14N4O2 — CID 54991956

IUPAC2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C#N)CN(C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H14N4O2/c1-9(7-14)8-16(2)12-11(13(18)19)17-6-4-3-5-10(17)15-12/h3-6,9H,8H2,1-2H3,(H,18,19)
InChIKeyYSLRRVFKOAFDMA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 54991956) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID54991956
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C#N)CN(C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C13H14N4O2/c1-9(7-14)8-16(2)12-11(13(18)19)17-6-4-3-5-10(17)15-12/h3-6,9H,8H2,1-2H3,(H,18,19)
InChIKeyYSLRRVFKOAFDMA-UHFFFAOYSA-N
XLogP1.63
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 54991956) is 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is CC(C#N)CN(C)c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is YSLRRVFKOAFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(7-14)8-16(2)12-11(13(18)19)17-6-4-3-5-10(17)15-12/h3-6,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 54991956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).