ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate

C20H27NO4 — CID 54687763

IUPACethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate
SMILESCCCCCN1C(=O)C(c2ccccc2)=C(O)C(C(=O)OCC)C1C
InChIInChI=1S/C20H27NO4/c1-4-6-10-13-21-14(3)16(20(24)25-5-2)18(22)17(19(21)23)15-11-8-7-9-12-15/h7-9,11-12,14,16,22H,4-6,10,13H2,1-3H3
InChIKeyFRZNAJPFIMYMKN-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.56
Rot. Bonds7

About ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate

ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate (PubChem CID 54687763) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate
PubChem CID54687763
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Nameethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate
SMILESCCCCCN1C(=O)C(c2ccccc2)=C(O)C(C(=O)OCC)C1C
InChIInChI=1S/C20H27NO4/c1-4-6-10-13-21-14(3)16(20(24)25-5-2)18(22)17(19(21)23)15-11-8-7-9-12-15/h7-9,11-12,14,16,22H,4-6,10,13H2,1-3H3
InChIKeyFRZNAJPFIMYMKN-UHFFFAOYSA-N
XLogP3.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(3-phenylpropanoyl)azetidin-2-yl] acetate
CID 44550695
[(2R,3R)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-(4-phenylbutanoyl)azetidin-2-yl] acetate
CID 44550696
3-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
CID 70276579
Ethyl 7-hydroxy-5-oxo-6-phenyl-1,2,3-trihydroindolizine-8-carboxylate
CID 54691175
Methyl 1-cyclohexyl-2-hydroxy-2-methyl-4-(4-methylphenyl)-5-oxopyrrole-3-carboxylate
CID 134853343
4-[[2-(4-Fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66236334
4-[[2-(3-Fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66237151
4-[[2-(2-Fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66237961
4-[Ethyl-[2-(4-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66247015
4-[Ethyl-[2-(2-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66247417
4-[Ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66247807

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate (CID 54687763) is ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate is CCCCCN1C(=O)C(c2ccccc2)=C(O)C(C(=O)OCC)C1C.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate?
The InChIKey is FRZNAJPFIMYMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-6-10-13-21-14(3)16(20(24)25-5-2)18(22)17(19(21)23)15-11-8-7-9-12-15/h7-9,11-12,14,16,22H,4-6,10,13H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate?
ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-6-oxo-1-pentyl-5-phenyl-2,3-dihydropyridine-3-carboxylate is sourced from PubChem (CID 54687763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).