2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C13H15N3O2 — CID 117255785

IUPAC2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(CNC3CCC3)cn12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-5-2-6-12-15-10(8-16(11)12)7-14-9-3-1-4-9/h2,5-6,8-9,14H,1,3-4,7H2,(H,17,18)
InChIKeyDMLXQFXZHLPCDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.67
Rot. Bonds4

About 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117255785) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117255785
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(CNC3CCC3)cn12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-5-2-6-12-15-10(8-16(11)12)7-14-9-3-1-4-9/h2,5-6,8-9,14H,1,3-4,7H2,(H,17,18)
InChIKeyDMLXQFXZHLPCDI-UHFFFAOYSA-N
XLogP1.67
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 117255785) is 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(CNC3CCC3)cn12.
What is the InChIKey of 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is DMLXQFXZHLPCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)11-5-2-6-12-15-10(8-16(11)12)7-14-9-3-1-4-9/h2,5-6,8-9,14H,1,3-4,7H2,(H,17,18).
What are the key properties of 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117255785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).