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

C14H19N3O2 — CID 117099179

IUPAC6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(CC)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C14H19N3O2/c1-3-5-8-16(4-2)11-6-7-13-15-12(14(18)19)10-17(13)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyFSZUSQIDMBNNIN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.66
Rot. Bonds6

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

6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 117099179) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID117099179
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(CC)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C14H19N3O2/c1-3-5-8-16(4-2)11-6-7-13-15-12(14(18)19)10-17(13)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyFSZUSQIDMBNNIN-UHFFFAOYSA-N
XLogP2.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 117099179) is 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid is CCCCN(CC)c1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is FSZUSQIDMBNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-5-8-16(4-2)11-6-7-13-15-12(14(18)19)10-17(13)9-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid?
6-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.66, 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]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 117099179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).