6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C15H21N3O2 — CID 117099294

IUPAC6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(CC)c1cc(C)c2nc(C(=O)O)cn2c1
InChIInChI=1S/C15H21N3O2/c1-4-6-7-17(5-2)12-8-11(3)14-16-13(15(19)20)10-18(14)9-12/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyPUMZXUUSGNNPRE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.97
Rot. Bonds6

About 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 117099294) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID117099294
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(CC)c1cc(C)c2nc(C(=O)O)cn2c1
InChIInChI=1S/C15H21N3O2/c1-4-6-7-17(5-2)12-8-11(3)14-16-13(15(19)20)10-18(14)9-12/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyPUMZXUUSGNNPRE-UHFFFAOYSA-N
XLogP2.97
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099179
6-[ethyl(2-hydroxyethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 117099190
2-(aminomethyl)-8-methyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
CID 117099319
8-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 130064867
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-[butyl(ethyl)amino]-2-nitrobenzoic acid
CID 113419608
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423388
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane
CID 167488547

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 117099294) is 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is CCCCN(CC)c1cc(C)c2nc(C(=O)O)cn2c1.
What is the InChIKey of 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is PUMZXUUSGNNPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-6-7-17(5-2)12-8-11(3)14-16-13(15(19)20)10-18(14)9-12/h8-10H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(ethyl)amino]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 117099294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).