N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide

C14H13BrN2O2 — CID 47317681

IUPACN-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C14H13BrN2O2/c1-9-4-3-5-11(16-9)14(18)17-12-8-10(15)6-7-13(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyDIQLFVNCMCYJKL-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.41
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide

N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide (PubChem CID 47317681) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
PubChem CID47317681
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C14H13BrN2O2/c1-9-4-3-5-11(16-9)14(18)17-12-8-10(15)6-7-13(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyDIQLFVNCMCYJKL-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81245507
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide (CID 47317681) is N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide is COc1ccc(Br)cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is DIQLFVNCMCYJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-4-3-5-11(16-9)14(18)17-12-8-10(15)6-7-13(12)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide?
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 47317681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).