N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide

C14H12BrN3O2 — CID 3838884

IUPACN'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-11-3-1-2-4-12(11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyPONRLNFNBQRXRR-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.10
Rot. Bonds3

About N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 3838884) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID3838884
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H12BrN3O2/c15-11-3-1-2-4-12(11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyPONRLNFNBQRXRR-UHFFFAOYSA-N
XLogP2.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.10
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-(pyridin-4-ylmethyl)oxamide
CID 108985107
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 164886449
N'-(2-bromo-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 75435023
dimethyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]benzene-1,4-dicarboxylate
CID 108518223
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 3838884) is N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is PONRLNFNBQRXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-11-3-1-2-4-12(11)18-14(20)13(19)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 334.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3838884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).