N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide

C16H17BrN2O2 — CID 103909587

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-4-3-5-13(10-11)21-9-8-16(20)19-14-6-7-15(17)18-12(14)2/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyFEZFIQXXKASTDG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.87
Rot. Bonds5

About N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide

N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide (PubChem CID 103909587) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
PubChem CID103909587
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(Br)nc2C)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-4-3-5-13(10-11)21-9-8-16(20)19-14-6-7-15(17)18-12(14)2/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyFEZFIQXXKASTDG-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.87
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

N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 65098554

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide (CID 103909587) is N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(Br)nc2C)c1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is FEZFIQXXKASTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-4-3-5-13(10-11)21-9-8-16(20)19-14-6-7-15(17)18-12(14)2/h3-7,10H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide?
N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 103909587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).