2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide

C12H17BrN2O3 — CID 100773616

IUPAC2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(C)Br)cn1
InChIInChI=1S/C12H17BrN2O3/c1-12(2,13)11(16)15-9-4-5-10(14-8-9)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKeyZIHSWWCUHNSPBD-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.22
Rot. Bonds6

About 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide

2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide (PubChem CID 100773616) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
PubChem CID100773616
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
SMILESCOCCOc1ccc(NC(=O)C(C)(C)Br)cn1
InChIInChI=1S/C12H17BrN2O3/c1-12(2,13)11(16)15-9-4-5-10(14-8-9)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKeyZIHSWWCUHNSPBD-UHFFFAOYSA-N
XLogP2.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 103732741
2-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 52698224
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730
3-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,2-dimethylpropanamide
CID 100782715
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,4-dimethyl-2-propoxypentanamide
CID 133205857
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 52910218
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide (CID 100773616) is 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide is COCCOc1ccc(NC(=O)C(C)(C)Br)cn1.
What is the InChIKey of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is ZIHSWWCUHNSPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-12(2,13)11(16)15-9-4-5-10(14-8-9)18-7-6-17-3/h4-5,8H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide?
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 317.18 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 100773616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).