[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C22H24ClNO3 — CID 145007591

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESC=C/C=C(\C=C)COC(=O)C1=C(CC)N(C)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO3/c1-5-8-15(6-2)14-27-22(26)21-18(16-9-11-17(23)12-10-16)13-20(25)24(4)19(21)7-3/h5-6,8-12,18H,1-2,7,13-14H2,3-4H3/b15-8+
InChIKeyJBYJBMNIEPCJBJ-OVCLIPMQSA-N
MW385.89 g/mol
LogP4.79
Rot. Bonds7

About [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 145007591) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID145007591
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESC=C/C=C(\C=C)COC(=O)C1=C(CC)N(C)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO3/c1-5-8-15(6-2)14-27-22(26)21-18(16-9-11-17(23)12-10-16)13-20(25)24(4)19(21)7-3/h5-6,8-12,18H,1-2,7,13-14H2,3-4H3/b15-8+
InChIKeyJBYJBMNIEPCJBJ-OVCLIPMQSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 145007659
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl] 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 145007547
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chloro-2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 145007631
[(2Z)-2-(methylideneamino)penta-2,4-dienyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-3,4-dihydropyridine-5-carboxylate
CID 145007577
(3R)-3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
CID 53466592
phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694507
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 678065
4-[[4-(4-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]methyl]benzoic acid
CID 42759741
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 7249189
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283
ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(pentylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4001482

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 145007591) is [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is C=C/C=C(\C=C)COC(=O)C1=C(CC)N(C)C(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is JBYJBMNIEPCJBJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-5-8-15(6-2)14-27-22(26)21-18(16-9-11-17(23)12-10-16)13-20(25)24(4)19(21)7-3/h5-6,8-12,18H,1-2,7,13-14H2,3-4H3/b15-8+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 385.89 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 145007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).