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

C16H17NO5 — CID 90667390

IUPACethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(OC)cc2)c[nH]c1=O
InChIInChI=1S/C16H17NO5/c1-4-22-16(19)13-14(21-3)12(9-17-15(13)18)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyVFUWPRHVUGRLOO-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.24
Rot. Bonds5

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

ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 90667390) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID90667390
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Nameethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(OC)cc2)c[nH]c1=O
InChIInChI=1S/C16H17NO5/c1-4-22-16(19)13-14(21-3)12(9-17-15(13)18)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyVFUWPRHVUGRLOO-UHFFFAOYSA-N
XLogP2.24
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-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 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 90667390) is ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OC)c(-c2ccc(OC)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VFUWPRHVUGRLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-22-16(19)13-14(21-3)12(9-17-15(13)18)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90667390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).