N'-(pyridin-3-ylmethyl)oxamide

C8H9N3O2 — CID 3145117

IUPACN'-(pyridin-3-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C8H9N3O2/c9-7(12)8(13)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,12)(H,11,13)
InChIKeyOZOWEWHBCBRXGW-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.82
Rot. Bonds2

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

N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3145117) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(pyridin-3-ylmethyl)oxamide
PubChem CID3145117
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN'-(pyridin-3-ylmethyl)oxamide
SMILESNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C8H9N3O2/c9-7(12)8(13)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,12)(H,11,13)
InChIKeyOZOWEWHBCBRXGW-UHFFFAOYSA-N
XLogP-0.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.82
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'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(pyridin-3-ylmethyl)oxamide (CID 3145117) is N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(pyridin-3-ylmethyl)oxamide is NC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is OZOWEWHBCBRXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-7(12)8(13)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,12)(H,11,13).
What are the key properties of N'-(pyridin-3-ylmethyl)oxamide?
N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 179.18 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3145117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).