N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide

C15H15BrN2O2 — CID 105063604

IUPACN-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1c(C)cc(C)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(16)7-9)18-15(19)11-4-5-17-8-13(11)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeyQKKKNZWGGVKVKA-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide

N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063604) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063604
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1c(C)cc(C)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(16)7-9)18-15(19)11-4-5-17-8-13(11)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeyQKKKNZWGGVKVKA-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(6-amino-2,3-dimethylphenyl)-3-methoxypyridine-4-carboxamide
CID 105062979
N-(2,6-dibromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256030
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide (CID 105063604) is N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1c(C)cc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is QKKKNZWGGVKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(16)7-9)18-15(19)11-4-5-17-8-13(11)20-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide?
N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).