N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide

C15H14BrN3O2 — CID 108532491

IUPACN-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ncccc2C)c(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-9-5-6-12(11(16)8-9)18-14(20)15(21)19-13-10(2)4-3-7-17-13/h3-8H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyHOMIMDVOMUXSNE-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.04
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide

N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide (PubChem CID 108532491) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
PubChem CID108532491
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ncccc2C)c(Br)c1
InChIInChI=1S/C15H14BrN3O2/c1-9-5-6-12(11(16)8-9)18-14(20)15(21)19-13-10(2)4-3-7-17-13/h3-8H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyHOMIMDVOMUXSNE-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997061
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997063
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide (CID 108532491) is N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ncccc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The InChIKey is HOMIMDVOMUXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-5-6-12(11(16)8-9)18-14(20)15(21)19-13-10(2)4-3-7-17-13/h3-8H,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide has a molecular weight of 348.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108532491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).