N-ethyl-N'-(pyridin-4-ylmethyl)oxamide

C10H13N3O2 — CID 3117731

IUPACN-ethyl-N'-(pyridin-4-ylmethyl)oxamide
SMILESCCNC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C10H13N3O2/c1-2-12-9(14)10(15)13-7-8-3-5-11-6-4-8/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyZKTVDLXEYGUNMS-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.17
Rot. Bonds3

About N-ethyl-N'-(pyridin-4-ylmethyl)oxamide

N-ethyl-N'-(pyridin-4-ylmethyl)oxamide (PubChem CID 3117731) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-ethyl-N'-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-ethyl-N'-(pyridin-4-ylmethyl)oxamide
PubChem CID3117731
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-ethyl-N'-(pyridin-4-ylmethyl)oxamide
SMILESCCNC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C10H13N3O2/c1-2-12-9(14)10(15)13-7-8-3-5-11-6-4-8/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyZKTVDLXEYGUNMS-UHFFFAOYSA-N
XLogP-0.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.17
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-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N-ethyl-N'-(pyridin-4-ylmethyl)oxamide (CID 3117731) is N-ethyl-N'-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N-ethyl-N'-(pyridin-4-ylmethyl)oxamide is CCNC(=O)C(=O)NCc1ccncc1.
What is the InChIKey of N-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
The InChIKey is ZKTVDLXEYGUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-12-9(14)10(15)13-7-8-3-5-11-6-4-8/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-ethyl-N'-(pyridin-4-ylmethyl)oxamide?
N-ethyl-N'-(pyridin-4-ylmethyl)oxamide has a molecular weight of 207.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3117731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).