1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide

C16H19FN2O2 — CID 126739608

IUPAC1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESC=C/C(=C\C=C(/C)F)Cn1cc(C)cc(C(=O)NC)c1=O
InChIInChI=1S/C16H19FN2O2/c1-5-13(7-6-12(3)17)10-19-9-11(2)8-14(16(19)21)15(20)18-4/h5-9H,1,10H2,2-4H3,(H,18,20)/b12-6+,13-7+
InChIKeyFVSVOFLPLHWHSI-PWHKKFIBSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds5

About 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide

1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 126739608) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID126739608
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESC=C/C(=C\C=C(/C)F)Cn1cc(C)cc(C(=O)NC)c1=O
InChIInChI=1S/C16H19FN2O2/c1-5-13(7-6-12(3)17)10-19-9-11(2)8-14(16(19)21)15(20)18-4/h5-9H,1,10H2,2-4H3,(H,18,20)/b12-6+,13-7+
InChIKeyFVSVOFLPLHWHSI-PWHKKFIBSA-N
XLogP2.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide (CID 126739608) is 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide is C=C/C(=C\C=C(/C)F)Cn1cc(C)cc(C(=O)NC)c1=O.
What is the InChIKey of 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is FVSVOFLPLHWHSI-PWHKKFIBSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-5-13(7-6-12(3)17)10-19-9-11(2)8-14(16(19)21)15(20)18-4/h5-9H,1,10H2,2-4H3,(H,18,20)/b12-6+,13-7+.
What are the key properties of 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide?
1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126739608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).