N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H15BrN2O2 — CID 103943345

IUPACN-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-7-9(15)14-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyDQONDSVAJZSMLY-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.60
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103943345) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103943345
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccnc1Br
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-7-9(15)14-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyDQONDSVAJZSMLY-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.60
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

N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N-(2-bromo-3-pyridinyl)-2-pyridin-3-ylacetamide
CID 103819165
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
N-(5-bromopyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602860
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103943345) is N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DQONDSVAJZSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)16-7-9(15)14-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 287.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103943345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).