[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C22H24ClNO4 — CID 145007659

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESC=C/C=C(\C=C)COC(=O)C1=C(CCOC)NC(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO4/c1-4-6-15(5-2)14-28-22(26)21-18(16-7-9-17(23)10-8-16)13-20(25)24-19(21)11-12-27-3/h4-10,18H,1-2,11-14H2,3H3,(H,24,25)/b15-6+
InChIKeyGUECBIYMOSHGOF-GIDUJCDVSA-N
MW401.89 g/mol
LogP4.08
Rot. Bonds9

About [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 145007659) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID145007659
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESC=C/C=C(\C=C)COC(=O)C1=C(CCOC)NC(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO4/c1-4-6-15(5-2)14-28-22(26)21-18(16-7-9-17(23)10-8-16)13-20(25)24-19(21)11-12-27-3/h4-10,18H,1-2,11-14H2,3H3,(H,24,25)/b15-6+
InChIKeyGUECBIYMOSHGOF-GIDUJCDVSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 145007591
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chloro-2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 145007631
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 678065
[(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
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7297665
(2-methoxyphenyl)methyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 118694399
phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694507
[(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
[(2S)-butan-2-yl] (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645268
2-methoxyethyl (4R)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7127195
2-methoxyethyl (6S)-6-(4-chlorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8649882
2-methoxyethyl (6S)-6-(4-chlorophenyl)-3-cyclopropyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8651181

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 145007659) is [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is C=C/C=C(\C=C)COC(=O)C1=C(CCOC)NC(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is GUECBIYMOSHGOF-GIDUJCDVSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-4-6-15(5-2)14-28-22(26)21-18(16-7-9-17(23)10-8-16)13-20(25)24-19(21)11-12-27-3/h4-10,18H,1-2,11-14H2,3H3,(H,24,25)/b15-6+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
[(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 401.89 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] 4-(4-chlorophenyl)-6-(2-methoxyethyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 145007659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).