N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide

C13H17N3O3 — CID 3136543

IUPACN-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H17N3O3/c17-12(15-8-10-3-1-5-14-7-10)13(18)16-9-11-4-2-6-19-11/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,17)(H,16,18)
InChIKeyOZNNDYYPDVAQET-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.01
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide

N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3136543) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3136543
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCC1CCCO1
InChIInChI=1S/C13H17N3O3/c17-12(15-8-10-3-1-5-14-7-10)13(18)16-9-11-4-2-6-19-11/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,17)(H,16,18)
InChIKeyOZNNDYYPDVAQET-UHFFFAOYSA-N
XLogP-0.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.01
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-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide (CID 3136543) is N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is OZNNDYYPDVAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(15-8-10-3-1-5-14-7-10)13(18)16-9-11-4-2-6-19-11/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,17)(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide?
N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 263.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3136543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).