2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide

C15H21BrN4O2 — CID 141239241

IUPAC2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
SMILESCc1c(Br)cn2c(NCC(=O)NO)c(CC(C)C)nc2c1C
InChIInChI=1S/C15H21BrN4O2/c1-8(2)5-12-15(17-6-13(21)19-22)20-7-11(16)9(3)10(4)14(20)18-12/h7-8,17,22H,5-6H2,1-4H3,(H,19,21)
InChIKeyYIQKCPGQSBMATL-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.83
Rot. Bonds5

About 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide

2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide (PubChem CID 141239241) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
PubChem CID141239241
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
SMILESCc1c(Br)cn2c(NCC(=O)NO)c(CC(C)C)nc2c1C
InChIInChI=1S/C15H21BrN4O2/c1-8(2)5-12-15(17-6-13(21)19-22)20-7-11(16)9(3)10(4)14(20)18-12/h7-8,17,22H,5-6H2,1-4H3,(H,19,21)
InChIKeyYIQKCPGQSBMATL-UHFFFAOYSA-N
XLogP2.83
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide (CID 141239241) is 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide is Cc1c(Br)cn2c(NCC(=O)NO)c(CC(C)C)nc2c1C.
What is the InChIKey of 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
The InChIKey is YIQKCPGQSBMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-8(2)5-12-15(17-6-13(21)19-22)20-7-11(16)9(3)10(4)14(20)18-12/h7-8,17,22H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide?
2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide has a molecular weight of 369.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-7,8-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 141239241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).