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

C16H17BrN2O2 — CID 107518506

IUPAC3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ncccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)15-13(17)8-6-10-18-15/h4-11H,1-3H3
InChIKeySDSYNOKHBSOJIU-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide

3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 107518506) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID107518506
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ncccc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)15-13(17)8-6-10-18-15/h4-11H,1-3H3
InChIKeySDSYNOKHBSOJIU-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

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Related Compounds

3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 107518506) is 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is SDSYNOKHBSOJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(12-7-4-5-9-14(12)21-3)19(2)16(20)15-13(17)8-6-10-18-15/h4-11H,1-3H3.
What are the key properties of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
3-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 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107518506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).