ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate

C18H18N2O4 — CID 68703449

IUPACethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)ccnc1-c1ccc(OC)c(C#N)c1OC
InChIInChI=1S/C18H18N2O4/c1-5-24-18(21)15-11(2)8-9-20-16(15)12-6-7-14(22-3)13(10-19)17(12)23-4/h6-9H,5H2,1-4H3
InChIKeyVWLMBBJGIIBRDH-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate

ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate (PubChem CID 68703449) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate
PubChem CID68703449
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)ccnc1-c1ccc(OC)c(C#N)c1OC
InChIInChI=1S/C18H18N2O4/c1-5-24-18(21)15-11(2)8-9-20-16(15)12-6-7-14(22-3)13(10-19)17(12)23-4/h6-9H,5H2,1-4H3
InChIKeyVWLMBBJGIIBRDH-UHFFFAOYSA-N
XLogP3.12
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-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

Related Compounds

ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
CID 68698543
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
ethyl 2-cyano-6-(hydroxymethyl)-3-methoxybenzoate
CID 134641477
ethyl 6-(chloromethyl)-2-cyano-3-methoxybenzoate
CID 134651306
ethyl 2-cyano-3-methoxy-6-(trifluoromethylsulfanyl)benzoate
CID 134641455
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 4-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134685125
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
ethyl 3-cyano-4-methoxy-2-(trifluoromethylsulfanyl)benzoate
CID 134643298

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate (CID 68703449) is ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate is CCOC(=O)c1c(C)ccnc1-c1ccc(OC)c(C#N)c1OC.
What is the InChIKey of ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate?
The InChIKey is VWLMBBJGIIBRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-5-24-18(21)15-11(2)8-9-20-16(15)12-6-7-14(22-3)13(10-19)17(12)23-4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate?
ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 68703449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).