2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide

C9H10BrN3O3 — CID 107396697

IUPAC2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
SMILESCC(Oc1ccc(Br)nc1)C(=O)NC(N)=O
InChIInChI=1S/C9H10BrN3O3/c1-5(8(14)13-9(11)15)16-6-2-3-7(10)12-4-6/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyIIRDLCOUNLKRNN-UHFFFAOYSA-N
MW288.10 g/mol
LogP0.81
Rot. Bonds3

About 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide

2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide (PubChem CID 107396697) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
PubChem CID107396697
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
SMILESCC(Oc1ccc(Br)nc1)C(=O)NC(N)=O
InChIInChI=1S/C9H10BrN3O3/c1-5(8(14)13-9(11)15)16-6-2-3-7(10)12-4-6/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyIIRDLCOUNLKRNN-UHFFFAOYSA-N
XLogP0.81
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide (CID 107396697) is 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide is CC(Oc1ccc(Br)nc1)C(=O)NC(N)=O.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide?
The InChIKey is IIRDLCOUNLKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c1-5(8(14)13-9(11)15)16-6-2-3-7(10)12-4-6/h2-5H,1H3,(H3,11,13,14,15).
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide?
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide has a molecular weight of 288.10 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide is sourced from PubChem (CID 107396697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).