2-bromo-N-(6-methoxy-3-pyridinyl)propanamide

C9H11BrN2O2 — CID 107902789

IUPAC2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Br)cn1
InChIInChI=1S/C9H11BrN2O2/c1-6(10)9(13)12-7-3-4-8(14-2)11-5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyFKJIPSRZBXSLBJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.81
Rot. Bonds3

About 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide

2-bromo-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 107902789) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID107902789
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Br)cn1
InChIInChI=1S/C9H11BrN2O2/c1-6(10)9(13)12-7-3-4-8(14-2)11-5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyFKJIPSRZBXSLBJ-UHFFFAOYSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 9210823
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-bromo-N-(2-methylpyrimidin-5-yl)propanamide
CID 131183260
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide (CID 107902789) is 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)C(C)Br)cn1.
What is the InChIKey of 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is FKJIPSRZBXSLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(10)9(13)12-7-3-4-8(14-2)11-5-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide?
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 259.10 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 107902789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).