ethyl 4,4-diethylpyridine-1-carboxylate

C12H19NO2 — CID 154423306

IUPACethyl 4,4-diethylpyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(CC)(CC)C=C1
InChIInChI=1S/C12H19NO2/c1-4-12(5-2)7-9-13(10-8-12)11(14)15-6-3/h7-10H,4-6H2,1-3H3
InChIKeyFDJTUWKJKODLBZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4,4-diethylpyridine-1-carboxylate

ethyl 4,4-diethylpyridine-1-carboxylate (PubChem CID 154423306) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethyl 4,4-diethylpyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-diethylpyridine-1-carboxylate
PubChem CID154423306
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethyl 4,4-diethylpyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(CC)(CC)C=C1
InChIInChI=1S/C12H19NO2/c1-4-12(5-2)7-9-13(10-8-12)11(14)15-6-3/h7-10H,4-6H2,1-3H3
InChIKeyFDJTUWKJKODLBZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 4,4-diethylpyridine-1-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 3-azaspiro[5.5]undeca-1,4-diene-3-carboxylate
CID 318263
Ethyl 4,4-dimethylpyridine-1-carboxylate
CID 12391526
Ethyl 8-azaspiro[4.5]deca-6,9-diene-8-carboxylate
CID 318261
Ethyl 3-azaspiro[5.6]dodeca-1,4-diene-3-carboxylate
CID 318262
Ethyl 1,1-dimethyl-6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
CID 276445
Ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
CID 12530992
ethyl 4-isopropyl-3-methylpyridine-1(4H)-carboxylate
CID 90317966
ethyl N-methyl-N-[(1E)-3-methylhexa-1,5-dienyl]carbamate
CID 10797991
Ethyl 7-azaspiro[3.5]nona-5,8-diene-7-carboxylate
CID 12530988
ethyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12885280
ethyl 4-butan-2-yl-4H-pyridine-1-carboxylate
CID 12885283
Ethyl 4-(prop-2-en-1-yl)pyridine-1(4H)-carboxylate
CID 13427483

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-diethylpyridine-1-carboxylate?
The IUPAC name of ethyl 4,4-diethylpyridine-1-carboxylate (CID 154423306) is ethyl 4,4-diethylpyridine-1-carboxylate.
What is the SMILES notation for ethyl 4,4-diethylpyridine-1-carboxylate?
The canonical SMILES for ethyl 4,4-diethylpyridine-1-carboxylate is CCOC(=O)N1C=CC(CC)(CC)C=C1.
What is the InChIKey of ethyl 4,4-diethylpyridine-1-carboxylate?
The InChIKey is FDJTUWKJKODLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-12(5-2)7-9-13(10-8-12)11(14)15-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 4,4-diethylpyridine-1-carboxylate?
ethyl 4,4-diethylpyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-diethylpyridine-1-carboxylate is sourced from PubChem (CID 154423306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).