3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine

C24H24FN — CID 134377178

IUPAC3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine
SMILESC=C=C(C(=C)Cc1cccc(C)c1F)C1=CNC(C(=C)C)=C(C=C)C1=C
InChIInChI=1S/C24H24FN/c1-8-20(17(6)13-19-12-10-11-16(5)23(19)25)22-14-26-24(15(3)4)21(9-2)18(22)7/h9-12,14,26H,1-3,6-7,13H2,4-5H3
InChIKeyWQRNVMLMWNNBMT-UHFFFAOYSA-N
MW345.46 g/mol
LogP6.00
Rot. Bonds6

About 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine

3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine (PubChem CID 134377178) has the molecular formula C24H24FN and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine.

Molecular Properties

Compound Name3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine
PubChem CID134377178
Molecular FormulaC24H24FN
Molecular Weight345.46 g/mol
Exact Mass345.19
IUPAC Name3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine
SMILESC=C=C(C(=C)Cc1cccc(C)c1F)C1=CNC(C(=C)C)=C(C=C)C1=C
InChIInChI=1S/C24H24FN/c1-8-20(17(6)13-19-12-10-11-16(5)23(19)25)22-14-26-24(15(3)4)21(9-2)18(22)7/h9-12,14,26H,1-3,6-7,13H2,4-5H3
InChIKeyWQRNVMLMWNNBMT-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-(3-((E)-2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)prop-2-en-1-amine
CID 57766550
Allylamine, 3,3-bis(m-fluorophenyl)-N-methyl-, hydrochloride
CID 30512
3-(4-Fluorophenyl)-N-methyl-3-phenylprop-2-en-1-amine--hydrogen chloride (1/1)
CID 89454
3-Cyclohexen-1-ylamine, 4-(p-fluorophenyl)-N-methyl-
CID 116167
4-(3-Trifluoromethylphenyl) 1,2-dihydropyridine
CID 129861451
N-[1-(cyclohexen-1-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 10956747
3,3-bis(3-fluorophenyl)-N-methylprop-2-en-1-amine
CID 30513
3-(4-fluorophenyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 89455
(4E)-N-Methyl-5-(3-fluorophenyl)-4-penten-2-amine
CID 10219784
5-(4-Fluorophenyl)-1,2-dihydropyridine
CID 17961022
4-[2-(4-Fluorophenyl)ethyl]-1,2,3,6-tetrahydropyridine
CID 20364554
4-(4-Fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine
CID 22132289

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine?
The IUPAC name of 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine (CID 134377178) is 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine.
What is the SMILES notation for 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine?
The canonical SMILES for 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine is C=C=C(C(=C)Cc1cccc(C)c1F)C1=CNC(C(=C)C)=C(C=C)C1=C.
What is the InChIKey of 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine?
The InChIKey is WQRNVMLMWNNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN/c1-8-20(17(6)13-19-12-10-11-16(5)23(19)25)22-14-26-24(15(3)4)21(9-2)18(22)7/h9-12,14,26H,1-3,6-7,13H2,4-5H3.
What are the key properties of 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine?
3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine has a molecular weight of 345.46 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-[4-[(2-fluoro-3-methylphenyl)methyl]penta-1,2,4-trien-3-yl]-4-methylidene-2-prop-1-en-2-yl-1H-pyridine is sourced from PubChem (CID 134377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).