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

C15H15BrN2O3 — CID 79736443

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C15H15BrN2O3/c1-9-6-14(17-8-12(9)16)18-15(19)11-7-10(20-2)4-5-13(11)21-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyYRAZBWGHODDXAH-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.42
Rot. Bonds4

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

N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide (PubChem CID 79736443) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
PubChem CID79736443
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C15H15BrN2O3/c1-9-6-14(17-8-12(9)16)18-15(19)11-7-10(20-2)4-5-13(11)21-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyYRAZBWGHODDXAH-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

3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide (CID 79736443) is N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2cc(C)c(Br)cn2)c1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide?
The InChIKey is YRAZBWGHODDXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9-6-14(17-8-12(9)16)18-15(19)11-7-10(20-2)4-5-13(11)21-3/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-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-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 79736443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).