N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide

C15H15BrN2O2 — CID 112793960

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccccn1
InChIInChI=1S/C15H15BrN2O2/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3
InChIKeyZLGYMTIHFJIMHK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 112793960) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID112793960
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccccn1
InChIInChI=1S/C15H15BrN2O2/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3
InChIKeyZLGYMTIHFJIMHK-UHFFFAOYSA-N
XLogP3.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 4787427
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
N-[2-(4-bromophenoxy)ethyl]-N,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 24514953
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide (CID 112793960) is N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZLGYMTIHFJIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 112793960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).