N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide

C15H13N3O4 — CID 3113982

IUPACN'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(17-8-11-3-1-2-6-16-11)15(20)18-10-4-5-12-13(7-10)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20)
InChIKeyOLEZOQVCIUVPJA-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.07
Rot. Bonds3

About N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide

N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 3113982) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID3113982
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(17-8-11-3-1-2-6-16-11)15(20)18-10-4-5-12-13(7-10)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20)
InChIKeyOLEZOQVCIUVPJA-UHFFFAOYSA-N
XLogP1.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide (CID 3113982) is N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is OLEZOQVCIUVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(17-8-11-3-1-2-6-16-11)15(20)18-10-4-5-12-13(7-10)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 299.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3113982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).