N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide

C13H13N3O3 — CID 2301154

IUPACN'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O3/c17-12(15-8-10-3-5-14-6-4-10)13(18)16-9-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,17)(H,16,18)
InChIKeyZPWQODMLJLXVSL-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.61
Rot. Bonds4

About N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide

N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 2301154) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID2301154
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O3/c17-12(15-8-10-3-5-14-6-4-10)13(18)16-9-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,17)(H,16,18)
InChIKeyZPWQODMLJLXVSL-UHFFFAOYSA-N
XLogP0.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.61
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'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide (CID 2301154) is N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)NCc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is ZPWQODMLJLXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(15-8-10-3-5-14-6-4-10)13(18)16-9-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,17)(H,16,18).
What are the key properties of N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 259.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 2301154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).