2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide

C13H17ClN4O2 — CID 141239444

IUPAC2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
SMILESCC(C)(C)c1nc2cccc(Cl)n2c1NCC(=O)NO
InChIInChI=1S/C13H17ClN4O2/c1-13(2,3)11-12(15-7-10(19)17-20)18-8(14)5-4-6-9(18)16-11/h4-6,15,20H,7H2,1-3H3,(H,17,19)
InChIKeyCAFRWIPYKGFEQV-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.20
Rot. Bonds3

About 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide

2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide (PubChem CID 141239444) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
PubChem CID141239444
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
SMILESCC(C)(C)c1nc2cccc(Cl)n2c1NCC(=O)NO
InChIInChI=1S/C13H17ClN4O2/c1-13(2,3)11-12(15-7-10(19)17-20)18-8(14)5-4-6-9(18)16-11/h4-6,15,20H,7H2,1-3H3,(H,17,19)
InChIKeyCAFRWIPYKGFEQV-UHFFFAOYSA-N
XLogP2.20
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide (CID 141239444) is 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide is CC(C)(C)c1nc2cccc(Cl)n2c1NCC(=O)NO.
What is the InChIKey of 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide?
The InChIKey is CAFRWIPYKGFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-13(2,3)11-12(15-7-10(19)17-20)18-8(14)5-4-6-9(18)16-11/h4-6,15,20H,7H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide?
2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide has a molecular weight of 296.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-5-chloroimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 141239444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).