2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide

C11H15BrN2O3 — CID 107903976

IUPAC2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
SMILESCOCCn1cc(NC(=O)C(C)Br)ccc1=O
InChIInChI=1S/C11H15BrN2O3/c1-8(12)11(16)13-9-3-4-10(15)14(7-9)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyLPFFZOLWSBWHBF-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.22
Rot. Bonds5

About 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide

2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide (PubChem CID 107903976) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
PubChem CID107903976
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
SMILESCOCCn1cc(NC(=O)C(C)Br)ccc1=O
InChIInChI=1S/C11H15BrN2O3/c1-8(12)11(16)13-9-3-4-10(15)14(7-9)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyLPFFZOLWSBWHBF-UHFFFAOYSA-N
XLogP1.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
CID 113222064
(2S)-2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylsulfanylbutanamide
CID 61179548
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2,2,3,3-tetrafluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 103776757
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
2-amino-4-methoxy-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 62473033
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-3-carboxamide
CID 71968599

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide?
The IUPAC name of 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide (CID 107903976) is 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide is COCCn1cc(NC(=O)C(C)Br)ccc1=O.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide?
The InChIKey is LPFFZOLWSBWHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-8(12)11(16)13-9-3-4-10(15)14(7-9)5-6-17-2/h3-4,7-8H,5-6H2,1-2H3,(H,13,16).
What are the key properties of 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide?
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide has a molecular weight of 303.16 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 107903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).