3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide

C15H15BrN2O2 — CID 122143078

IUPAC3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)ccn(C)c2=O)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-11(8-12(16)7-9)14(19)17-13-10(2)4-5-18(3)15(13)20/h4-8H,1-3H3,(H,17,19)
InChIKeyGBIROLOCCVENRR-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.02
Rot. Bonds2

About 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide

3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide (PubChem CID 122143078) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
PubChem CID122143078
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)ccn(C)c2=O)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-11(8-12(16)7-9)14(19)17-13-10(2)4-5-18(3)15(13)20/h4-8H,1-3H3,(H,17,19)
InChIKeyGBIROLOCCVENRR-UHFFFAOYSA-N
XLogP3.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide (CID 122143078) is 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2c(C)ccn(C)c2=O)c1.
What is the InChIKey of 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide?
The InChIKey is GBIROLOCCVENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-6-11(8-12(16)7-9)14(19)17-13-10(2)4-5-18(3)15(13)20/h4-8H,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide?
3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide is sourced from PubChem (CID 122143078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).