ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate

C18H21NO4 — CID 90220587

IUPACethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C18H21NO4/c1-4-23-18(22)15-13(10-11(2)3)19-17(21)14(16(15)20)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,19,20,21)
InChIKeyDSLNLEXFIXNTOM-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate

ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate (PubChem CID 90220587) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
PubChem CID90220587
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C18H21NO4/c1-4-23-18(22)15-13(10-11(2)3)19-17(21)14(16(15)20)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,19,20,21)
InChIKeyDSLNLEXFIXNTOM-UHFFFAOYSA-N
XLogP3.12
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate (CID 90220587) is ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(CC(C)C)[nH]c(=O)c(-c2ccccc2)c1O.
What is the InChIKey of ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is DSLNLEXFIXNTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-23-18(22)15-13(10-11(2)3)19-17(21)14(16(15)20)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,19,20,21).
What are the key properties of ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(2-methylpropyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).