2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide

C15H15BrN2O2 — CID 81332753

IUPAC2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C15H15BrN2O2/c1-8-7-11(4-5-12(8)16)20-15-13(14(17)19)9(2)6-10(3)18-15/h4-7H,1-3H3,(H2,17,19)
InChIKeyOGENSMIJULPLBQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide

2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 81332753) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
PubChem CID81332753
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C15H15BrN2O2/c1-8-7-11(4-5-12(8)16)20-15-13(14(17)19)9(2)6-10(3)18-15/h4-7H,1-3H3,(H2,17,19)
InChIKeyOGENSMIJULPLBQ-UHFFFAOYSA-N
XLogP3.66
TPSA65.21 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 65203397
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83135139
2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345
6-(4-bromo-3-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 83134293
2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908
4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
CID 61176530

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide (CID 81332753) is 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Oc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is OGENSMIJULPLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-7-11(4-5-12(8)16)20-15-13(14(17)19)9(2)6-10(3)18-15/h4-7H,1-3H3,(H2,17,19).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide?
2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81332753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).