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

C15H15N3O2 — CID 3117747

IUPACN'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-2-4-13(5-3-11)18-15(20)14(19)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyOKKGNMAGEPJHIR-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.64
Rot. Bonds3

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

N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 3117747) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID3117747
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11-2-4-13(5-3-11)18-15(20)14(19)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyOKKGNMAGEPJHIR-UHFFFAOYSA-N
XLogP1.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 3117747) is N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is OKKGNMAGEPJHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-2-4-13(5-3-11)18-15(20)14(19)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 269.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3117747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).