N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

C15H14BrN3O2 — CID 108985107

IUPACN'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-10-2-3-12(8-13(10)16)19-15(21)14(20)18-9-11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeySCHGWSIGNKWLIV-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.41
Rot. Bonds3

About N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 108985107) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID108985107
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-10-2-3-12(8-13(10)16)19-15(21)14(20)18-9-11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeySCHGWSIGNKWLIV-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.41
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'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 164886449
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 108985107) is N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1Br.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is SCHGWSIGNKWLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10-2-3-12(8-13(10)16)19-15(21)14(20)18-9-11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 348.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 108985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).