N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide

C14H12FN3O2 — CID 2251081

IUPACN'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWPRSWQDYODCAFF-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.48
Rot. Bonds3

About N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide

N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 2251081) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID2251081
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC NameN'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20)
InChIKeyWPRSWQDYODCAFF-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.48
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'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide (CID 2251081) is N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is WPRSWQDYODCAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-3-5-12(6-4-11)18-14(20)13(19)17-9-10-2-1-7-16-8-10/h1-8H,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 273.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 2251081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).