N-(4-methylphenyl)-N'-pyridin-2-yloxamide

C14H13N3O2 — CID 2245812

IUPACN-(4-methylphenyl)-N'-pyridin-2-yloxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O2/c1-10-5-7-11(8-6-10)16-13(18)14(19)17-12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,15,17,19)
InChIKeyDRTAHNRKUXXYNG-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds2

About N-(4-methylphenyl)-N'-pyridin-2-yloxamide

N-(4-methylphenyl)-N'-pyridin-2-yloxamide (PubChem CID 2245812) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-pyridin-2-yloxamide
PubChem CID2245812
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(4-methylphenyl)-N'-pyridin-2-yloxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H13N3O2/c1-10-5-7-11(8-6-10)16-13(18)14(19)17-12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,15,17,19)
InChIKeyDRTAHNRKUXXYNG-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
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-2-yloxamide?
The IUPAC name of N-(4-methylphenyl)-N'-pyridin-2-yloxamide (CID 2245812) is N-(4-methylphenyl)-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-pyridin-2-yloxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-pyridin-2-yloxamide is Cc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-pyridin-2-yloxamide?
The InChIKey is DRTAHNRKUXXYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-5-7-11(8-6-10)16-13(18)14(19)17-12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(4-methylphenyl)-N'-pyridin-2-yloxamide?
N-(4-methylphenyl)-N'-pyridin-2-yloxamide has a molecular weight of 255.28 g/mol, XLogP of 1.97, 2 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-2-yloxamide is sourced from PubChem (CID 2245812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).