ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate

C20H19NO4 — CID 57016412

IUPACethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C20H19NO4/c1-2-25-20(24)18(22)12-16-9-10-17(21-19(16)23)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,18,22H,2,12H2,1H3,(H,21,23)
InChIKeyNKVJYOVUTNMQHR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.66
Rot. Bonds5

About ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate

ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 57016412) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate
PubChem CID57016412
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C20H19NO4/c1-2-25-20(24)18(22)12-16-9-10-17(21-19(16)23)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,18,22H,2,12H2,1H3,(H,21,23)
InChIKeyNKVJYOVUTNMQHR-UHFFFAOYSA-N
XLogP2.66
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate 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 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate (CID 57016412) is ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate is CCOC(=O)C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is NKVJYOVUTNMQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-25-20(24)18(22)12-16-9-10-17(21-19(16)23)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,18,22H,2,12H2,1H3,(H,21,23).
What are the key properties of ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate?
ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 337.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 57016412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).