N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide

C15H13FN4O2 — CID 5334876

IUPACN'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O2/c16-12-6-4-11(5-7-12)9-19-20-15(22)14(21)18-10-13-3-1-2-8-17-13/h1-9H,10H2,(H,18,21)(H,20,22)/b19-9+
InChIKeyQVICBOQERWOGAH-DJKKODMXSA-N
MW300.29 g/mol
LogP0.99
Rot. Bonds4

About N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide

N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 5334876) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID5334876
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN4O2/c16-12-6-4-11(5-7-12)9-19-20-15(22)14(21)18-10-13-3-1-2-8-17-13/h1-9H,10H2,(H,18,21)(H,20,22)/b19-9+
InChIKeyQVICBOQERWOGAH-DJKKODMXSA-N
XLogP0.99
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide (CID 5334876) is N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is QVICBOQERWOGAH-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-12-6-4-11(5-7-12)9-19-20-15(22)14(21)18-10-13-3-1-2-8-17-13/h1-9H,10H2,(H,18,21)(H,20,22)/b19-9+.
What are the key properties of N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 300.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-fluorophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 5334876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).