(Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide

C24H23FN2O2 — CID 144602136

About (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide

(Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide (PubChem CID 144602136) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide
• PubChem CID: 144602136
• Molecular Formula: C24H23FN2O2
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.17
• IUPAC Name: (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide
• SMILES: C=C1C=CC(C2=C(c3ccc(F)c(C)c3)CC(C)C=C2)=CN1/C(=C\C)C(=O)N=O
• InChI: InChI=1S/C24H23FN2O2/c1-5-23(24(28)26-29)27-14-19(8-7-17(27)4)20-10-6-15(2)12-21(20)18-9-11-22(25)16(3)13-18/h5-11,13-15H,4,12H2,1-3H3/b23-5-
• InChIKey: QSCTXFMBJQUQBE-FPQMYIDKSA-N
• XLogP: 5.95
• TPSA: 49.74 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide?

The IUPAC name of (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide (CID 144602136) is (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide.

What is the SMILES notation for (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide?

The canonical SMILES for (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide is C=C1C=CC(C2=C(c3ccc(F)c(C)c3)CC(C)C=C2)=CN1/C(=C\C)C(=O)N=O.

What is the InChIKey of (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide?

The InChIKey is QSCTXFMBJQUQBE-FPQMYIDKSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-5-23(24(28)26-29)27-14-19(8-7-17(27)4)20-10-6-15(2)12-21(20)18-9-11-22(25)16(3)13-18/h5-11,13-15H,4,12H2,1-3H3/b23-5-.

What are the key properties of (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide?

(Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide has a molecular weight of 390.46 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[5-[2-(4-fluoro-3-methylphenyl)-4-methylcyclohexa-1,5-dien-1-yl]-2-methylidene-1-pyridinyl]-N-oxobut-2-enamide is sourced from PubChem (CID 144602136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).