4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one

C21H24FN3O — CID 142917016

IUPAC4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=C(NC1=C(C)C(=O)NCC1)C(/C=C\C)=N/C(=C)c1cc(C)cc(F)c1
InChIInChI=1S/C21H24FN3O/c1-6-7-20(16(5)25-19-8-9-23-21(26)14(19)3)24-15(4)17-10-13(2)11-18(22)12-17/h6-7,10-12,25H,4-5,8-9H2,1-3H3,(H,23,26)/b7-6-,24-20+
InChIKeyJUENDAWQHGXKHS-FCJJXFOZSA-N
MW353.44 g/mol
LogP4.02
Rot. Bonds6

About 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one

4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 142917016) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID142917016
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one
SMILESC=C(NC1=C(C)C(=O)NCC1)C(/C=C\C)=N/C(=C)c1cc(C)cc(F)c1
InChIInChI=1S/C21H24FN3O/c1-6-7-20(16(5)25-19-8-9-23-21(26)14(19)3)24-15(4)17-10-13(2)11-18(22)12-17/h6-7,10-12,25H,4-5,8-9H2,1-3H3,(H,23,26)/b7-6-,24-20+
InChIKeyJUENDAWQHGXKHS-FCJJXFOZSA-N
XLogP4.02
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one (CID 142917016) is 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one is C=C(NC1=C(C)C(=O)NCC1)C(/C=C\C)=N/C(=C)c1cc(C)cc(F)c1.
What is the InChIKey of 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is JUENDAWQHGXKHS-FCJJXFOZSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-6-7-20(16(5)25-19-8-9-23-21(26)14(19)3)24-15(4)17-10-13(2)11-18(22)12-17/h6-7,10-12,25H,4-5,8-9H2,1-3H3,(H,23,26)/b7-6-,24-20+.
What are the key properties of 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one?
4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 353.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4Z)-3-[1-(3-fluoro-5-methylphenyl)ethenylimino]hexa-1,4-dien-2-yl]amino]-5-methyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 142917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).