6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide

C16H17BrN2O2 — CID 103889671

IUPAC6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)13-8-6-10-15(17)18-13/h4-11H,1-3H3
InChIKeyHUYQYTAYYRPHAU-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.69
Rot. Bonds4

About 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide

6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 103889671) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID103889671
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)13-8-6-10-15(17)18-13/h4-11H,1-3H3
InChIKeyHUYQYTAYYRPHAU-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134054677
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 134054596
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 103889671) is 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is HUYQYTAYYRPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)13-8-6-10-15(17)18-13/h4-11H,1-3H3.
What are the key properties of 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103889671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).