6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide

C16H19FN2O2 — CID 143818484

IUPAC6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide
SMILESC=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H19FN2O2/c1-5-13-8-9-14(15(18)20)16(21)19(13)12(4)10(2)6-7-11(3)17/h6-9,12H,2-3,5H2,1,4H3,(H2,18,20)/b7-6-
InChIKeyHYZVZUOUOIKAMC-SREVYHEPSA-N
MW290.34 g/mol
LogP2.67
Rot. Bonds6

About 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide

6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide (PubChem CID 143818484) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide
PubChem CID143818484
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide
SMILESC=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C(N)=O)c1=O
InChIInChI=1S/C16H19FN2O2/c1-5-13-8-9-14(15(18)20)16(21)19(13)12(4)10(2)6-7-11(3)17/h6-9,12H,2-3,5H2,1,4H3,(H2,18,20)/b7-6-
InChIKeyHYZVZUOUOIKAMC-SREVYHEPSA-N
XLogP2.67
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.67
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 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide (CID 143818484) is 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide is C=C(F)/C=C\C(=C)C(C)n1c(CC)ccc(C(N)=O)c1=O.
What is the InChIKey of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is HYZVZUOUOIKAMC-SREVYHEPSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-5-13-8-9-14(15(18)20)16(21)19(13)12(4)10(2)6-7-11(3)17/h6-9,12H,2-3,5H2,1,4H3,(H2,18,20)/b7-6-.
What are the key properties of 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide?
6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 143818484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).