N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide

C14H13BrN2O2 — CID 29260428

IUPACN-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O2/c15-11-6-7-13(16-10-11)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyWNKVNJXDFWNTOU-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.25
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide

N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide (PubChem CID 29260428) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
PubChem CID29260428
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O2/c15-11-6-7-13(16-10-11)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyWNKVNJXDFWNTOU-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
1-(5-bromo-2-pyridinyl)-3-(2-phenoxyethyl)thiourea
CID 3002941
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-(5-bromo-2-pyridinyl)-3-(2,4-dimethylphenoxy)propanamide
CID 55756614
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide (CID 29260428) is N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide?
The InChIKey is WNKVNJXDFWNTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-6-7-13(16-10-11)17-14(18)8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide?
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide has a molecular weight of 321.17 g/mol, XLogP of 3.25, 5 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)-3-phenoxypropanamide is sourced from PubChem (CID 29260428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).