N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide

C12H15N3O3 — CID 18588751

IUPACN-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccncc1
InChIInChI=1S/C12H15N3O3/c16-11(14-8-10-2-1-7-18-10)12(17)15-9-3-5-13-6-4-9/h3-6,10H,1-2,7-8H2,(H,14,16)(H,13,15,17)
InChIKeyNNOFOOPYKISCHT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.32
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide

N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide (PubChem CID 18588751) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide
PubChem CID18588751
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccncc1
InChIInChI=1S/C12H15N3O3/c16-11(14-8-10-2-1-7-18-10)12(17)15-9-3-5-13-6-4-9/h3-6,10H,1-2,7-8H2,(H,14,16)(H,13,15,17)
InChIKeyNNOFOOPYKISCHT-UHFFFAOYSA-N
XLogP0.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide (CID 18588751) is N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide is O=C(NCC1CCCO1)C(=O)Nc1ccncc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide?
The InChIKey is NNOFOOPYKISCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-11(14-8-10-2-1-7-18-10)12(17)15-9-3-5-13-6-4-9/h3-6,10H,1-2,7-8H2,(H,14,16)(H,13,15,17).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide?
N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide has a molecular weight of 249.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-pyridin-4-yloxamide is sourced from PubChem (CID 18588751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).