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

C16H17N3O3 — CID 3117753

IUPACN'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-14-5-3-13(4-6-14)19-16(21)15(20)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGDZJDSVUKIRBQB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.74
Rot. Bonds5

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

N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 3117753) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID3117753
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-14-5-3-13(4-6-14)19-16(21)15(20)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGDZJDSVUKIRBQB-UHFFFAOYSA-N
XLogP1.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.74
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'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide (CID 3117753) is N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is GDZJDSVUKIRBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-22-14-5-3-13(4-6-14)19-16(21)15(20)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 299.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3117753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).