ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate

C18H19NO3 — CID 70023589

IUPACethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(/C=C\c2ccccc2)cc1=O
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)13-19-14(2)11-16(12-17(19)20)10-9-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b10-9-
InChIKeyWONDSDWSCMIIMC-KTKRTIGZSA-N
MW297.35 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate

ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate (PubChem CID 70023589) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
PubChem CID70023589
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(/C=C\c2ccccc2)cc1=O
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)13-19-14(2)11-16(12-17(19)20)10-9-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b10-9-
InChIKeyWONDSDWSCMIIMC-KTKRTIGZSA-N
XLogP2.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate 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-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate (CID 70023589) is ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate is CCOC(=O)Cn1c(C)cc(/C=C\c2ccccc2)cc1=O.
What is the InChIKey of ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate?
The InChIKey is WONDSDWSCMIIMC-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-22-18(21)13-19-14(2)11-16(12-17(19)20)10-9-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b10-9-.
What are the key properties of ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate?
ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate has a molecular weight of 297.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate is sourced from PubChem (CID 70023589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).