N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide

C16H17BrN2O — CID 79048667

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)c(C)n2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-7-10(2)15(11(3)8-9)16(20)19-14-6-5-13(17)12(4)18-14/h5-8H,1-4H3,(H,18,19,20)
InChIKeyWFXRQQFLDOYREP-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.33
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide (PubChem CID 79048667) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
PubChem CID79048667
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)c(C)n2)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-9-7-10(2)15(11(3)8-9)16(20)19-14-6-5-13(17)12(4)18-14/h5-8H,1-4H3,(H,18,19,20)
InChIKeyWFXRQQFLDOYREP-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 25239366
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(5-bromo-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 955822
N-(5-bromo-6-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 79048508

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide (CID 79048667) is N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Br)c(C)n2)c(C)c1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide?
The InChIKey is WFXRQQFLDOYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-9-7-10(2)15(11(3)8-9)16(20)19-14-6-5-13(17)12(4)18-14/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 79048667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).