ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate

C24H19N3O4 — CID 139215579

IUPACethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(-c3ccc(O)cc3)n2)cc1=O
InChIInChI=1S/C24H19N3O4/c1-2-31-24(30)21-20(29)14-19(26-22(21)15-6-4-3-5-7-15)18-12-13-25-23(27-18)16-8-10-17(28)11-9-16/h3-14,28H,2H2,1H3,(H,26,29)
InChIKeyGHFVZGKULKQLSH-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.05
Rot. Bonds5

About ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate

ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate (PubChem CID 139215579) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate
PubChem CID139215579
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Nameethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(-c3ccc(O)cc3)n2)cc1=O
InChIInChI=1S/C24H19N3O4/c1-2-31-24(30)21-20(29)14-19(26-22(21)15-6-4-3-5-7-15)18-12-13-25-23(27-18)16-8-10-17(28)11-9-16/h3-14,28H,2H2,1H3,(H,26,29)
InChIKeyGHFVZGKULKQLSH-UHFFFAOYSA-N
XLogP4.05
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate (CID 139215579) is ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(-c3ccc(O)cc3)n2)cc1=O.
What is the InChIKey of ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is GHFVZGKULKQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-2-31-24(30)21-20(29)14-19(26-22(21)15-6-4-3-5-7-15)18-12-13-25-23(27-18)16-8-10-17(28)11-9-16/h3-14,28H,2H2,1H3,(H,26,29).
What are the key properties of ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate?
ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(4-hydroxyphenyl)pyrimidin-4-yl]-4-oxo-2-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 139215579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).