6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide

C11H15BrN2O2 — CID 66465068

IUPAC6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-8(2)14(5-6-15)11(16)9-3-4-10(12)13-7-9/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyLJSJBQIQZQAQQB-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.69
Rot. Bonds4

About 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide

6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 66465068) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID66465068
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-8(2)14(5-6-15)11(16)9-3-4-10(12)13-7-9/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyLJSJBQIQZQAQQB-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 66462316
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
N-(3-hydroxypropyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62177310

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide (CID 66465068) is 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(CCO)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LJSJBQIQZQAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8(2)14(5-6-15)11(16)9-3-4-10(12)13-7-9/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 66465068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).