ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate

C19H23NO4 — CID 90667382

IUPACethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(C(C)(C)C)cc2)c[nH]c1=O
InChIInChI=1S/C19H23NO4/c1-6-24-18(22)15-16(23-5)14(11-20-17(15)21)12-7-9-13(10-8-12)19(2,3)4/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyREZUKOWLIKFFMC-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.52
Rot. Bonds4

About ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 90667382) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID90667382
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(C(C)(C)C)cc2)c[nH]c1=O
InChIInChI=1S/C19H23NO4/c1-6-24-18(22)15-16(23-5)14(11-20-17(15)21)12-7-9-13(10-8-12)19(2,3)4/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyREZUKOWLIKFFMC-UHFFFAOYSA-N
XLogP3.52
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate (CID 90667382) is ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OC)c(-c2ccc(C(C)(C)C)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is REZUKOWLIKFFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-6-24-18(22)15-16(23-5)14(11-20-17(15)21)12-7-9-13(10-8-12)19(2,3)4/h7-11H,6H2,1-5H3,(H,20,21).
What are the key properties of ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-tert-butylphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90667382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).