5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide

C15H15BrN2O2 — CID 3242278

IUPAC5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-9(2)10-3-4-14(19)13(6-10)18-15(20)11-5-12(16)8-17-7-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOKIFMUFKAMXPLZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.93
Rot. Bonds3

About 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide

5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 3242278) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID3242278
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-9(2)10-3-4-14(19)13(6-10)18-15(20)11-5-12(16)8-17-7-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyOKIFMUFKAMXPLZ-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide (CID 3242278) is 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is OKIFMUFKAMXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(2)10-3-4-14(19)13(6-10)18-15(20)11-5-12(16)8-17-7-11/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide?
5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3242278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).