3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide

C15H11F2N3O — CID 123386198

IUPAC3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide
SMILESC=CC(F)=C(C(=C)F)C(=O)Nc1cnc2cccnc2c1
InChIInChI=1S/C15H11F2N3O/c1-3-11(17)14(9(2)16)15(21)20-10-7-13-12(19-8-10)5-4-6-18-13/h3-8H,1-2H2,(H,20,21)
InChIKeyUIPZPHDAEOVVAE-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.46
Rot. Bonds4

About 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide

3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide (PubChem CID 123386198) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide
PubChem CID123386198
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide
SMILESC=CC(F)=C(C(=C)F)C(=O)Nc1cnc2cccnc2c1
InChIInChI=1S/C15H11F2N3O/c1-3-11(17)14(9(2)16)15(21)20-10-7-13-12(19-8-10)5-4-6-18-13/h3-8H,1-2H2,(H,20,21)
InChIKeyUIPZPHDAEOVVAE-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide?
The IUPAC name of 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide (CID 123386198) is 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide.
What is the SMILES notation for 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide?
The canonical SMILES for 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide is C=CC(F)=C(C(=C)F)C(=O)Nc1cnc2cccnc2c1.
What is the InChIKey of 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide?
The InChIKey is UIPZPHDAEOVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-3-11(17)14(9(2)16)15(21)20-10-7-13-12(19-8-10)5-4-6-18-13/h3-8H,1-2H2,(H,20,21).
What are the key properties of 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide?
3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide has a molecular weight of 287.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-fluoroethenyl)-N-(1,5-naphthyridin-3-yl)penta-2,4-dienamide is sourced from PubChem (CID 123386198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).