N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide

C11H15BrN2O2 — CID 112729128

IUPACN-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-2-16-7-3-4-11(15)14-10-6-5-9(12)8-13-10/h5-6,8H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLJAUDYQEGUOYED-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.60
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide

N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide (PubChem CID 112729128) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
PubChem CID112729128
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-2-16-7-3-4-11(15)14-10-6-5-9(12)8-13-10/h5-6,8H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyLJAUDYQEGUOYED-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
CID 79116971
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-(5-bromo-2-pyridinyl)-3-(2,4-dimethylphenoxy)propanamide
CID 55756614
4-ethoxy-N-phenylbutanamide
CID 112728021
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
CID 114227302
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide (CID 112729128) is N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide?
The InChIKey is LJAUDYQEGUOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-16-7-3-4-11(15)14-10-6-5-9(12)8-13-10/h5-6,8H,2-4,7H2,1H3,(H,13,14,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide?
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide has a molecular weight of 287.16 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide is sourced from PubChem (CID 112729128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).