N-(2-bromo-4-pyridinyl)-2-methoxypropanamide

C9H11BrN2O2 — CID 131128808

IUPACN-(2-bromo-4-pyridinyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-6(14-2)9(13)12-7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,11,12,13)
InChIKeyFWBRCICWCURUDG-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.82
Rot. Bonds3

About N-(2-bromo-4-pyridinyl)-2-methoxypropanamide

N-(2-bromo-4-pyridinyl)-2-methoxypropanamide (PubChem CID 131128808) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-methoxypropanamide
PubChem CID131128808
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC NameN-(2-bromo-4-pyridinyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-6(14-2)9(13)12-7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,11,12,13)
InChIKeyFWBRCICWCURUDG-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
N-(2-bromo-4-pyridinyl)propane-2-sulfonamide
CID 130699381
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
2-(4-bromophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110675318
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-methoxypropanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-methoxypropanamide (CID 131128808) is N-(2-bromo-4-pyridinyl)-2-methoxypropanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-methoxypropanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-methoxypropanamide is COC(C)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-methoxypropanamide?
The InChIKey is FWBRCICWCURUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(14-2)9(13)12-7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-methoxypropanamide?
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide has a molecular weight of 259.10 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-methoxypropanamide is sourced from PubChem (CID 131128808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).