N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C15H15N3O2 — CID 3156935

IUPACN'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H15N3O2/c1-11-5-4-7-12(9-11)18-15(20)14(19)17-10-13-6-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUNLVZQWTQNRKNE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.64
Rot. Bonds3

About N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 3156935) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID3156935
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H15N3O2/c1-11-5-4-7-12(9-11)18-15(20)14(19)17-10-13-6-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyUNLVZQWTQNRKNE-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'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 3156935) is N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide is Cc1cccc(NC(=O)C(=O)NCc2ccccn2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is UNLVZQWTQNRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-5-4-7-12(9-11)18-15(20)14(19)17-10-13-6-2-3-8-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(3-methylphenyl)-N-(pyridin-2-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'-(3-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3156935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).