N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide

C15H15BrN2O3 — CID 81487581

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Br)cc2C)c(OC)c1
InChIInChI=1S/C15H15BrN2O3/c1-9-6-10(16)8-17-14(9)18-15(19)12-5-4-11(20-2)7-13(12)21-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyTYMRGBGRYDIXJI-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.42
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide

N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide (PubChem CID 81487581) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
PubChem CID81487581
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(Br)cc2C)c(OC)c1
InChIInChI=1S/C15H15BrN2O3/c1-9-6-10(16)8-17-14(9)18-15(19)12-5-4-11(20-2)7-13(12)21-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyTYMRGBGRYDIXJI-UHFFFAOYSA-N
XLogP3.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
CID 81489117
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 17274555
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670331
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide (CID 81487581) is N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ncc(Br)cc2C)c(OC)c1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide?
The InChIKey is TYMRGBGRYDIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9-6-10(16)8-17-14(9)18-15(19)12-5-4-11(20-2)7-13(12)21-3/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide has a molecular weight of 351.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 81487581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).