N-(2-methylpropyl)-N'-pyridin-2-yloxamide

C11H15N3O2 — CID 3040661

IUPACN-(2-methylpropyl)-N'-pyridin-2-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C11H15N3O2/c1-8(2)7-13-10(15)11(16)14-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,12,14,16)
InChIKeyVJDPWGMVGYRUDG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.79
Rot. Bonds3

About N-(2-methylpropyl)-N'-pyridin-2-yloxamide

N-(2-methylpropyl)-N'-pyridin-2-yloxamide (PubChem CID 3040661) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-pyridin-2-yloxamide
PubChem CID3040661
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-methylpropyl)-N'-pyridin-2-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C11H15N3O2/c1-8(2)7-13-10(15)11(16)14-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,12,14,16)
InChIKeyVJDPWGMVGYRUDG-UHFFFAOYSA-N
XLogP0.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.79
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-(2-methylpropyl)-N'-pyridin-2-yloxamide?
The IUPAC name of N-(2-methylpropyl)-N'-pyridin-2-yloxamide (CID 3040661) is N-(2-methylpropyl)-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-pyridin-2-yloxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-pyridin-2-yloxamide is CC(C)CNC(=O)C(=O)Nc1ccccn1.
What is the InChIKey of N-(2-methylpropyl)-N'-pyridin-2-yloxamide?
The InChIKey is VJDPWGMVGYRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(2)7-13-10(15)11(16)14-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,15)(H,12,14,16).
What are the key properties of N-(2-methylpropyl)-N'-pyridin-2-yloxamide?
N-(2-methylpropyl)-N'-pyridin-2-yloxamide has a molecular weight of 221.26 g/mol, XLogP of 0.79, 3 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-yloxamide is sourced from PubChem (CID 3040661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).