N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide

C12H17N3O2 — CID 2251007

IUPACN'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-9(2)7-14-11(16)12(17)15-8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWWKYWJBGUPJALD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.47
Rot. Bonds4

About N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2251007) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2251007
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C12H17N3O2/c1-9(2)7-14-11(16)12(17)15-8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWWKYWJBGUPJALD-UHFFFAOYSA-N
XLogP0.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide (CID 2251007) is N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide is CC(C)CNC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is WWKYWJBGUPJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)7-14-11(16)12(17)15-8-10-5-3-4-6-13-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 235.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2251007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).