ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate

C14H21NO2 — CID 112561934

IUPACethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1nc(C)c(C(=O)OCC)cc1CC
InChIInChI=1S/C14H21NO2/c1-5-8-13-11(6-2)9-12(10(4)15-13)14(16)17-7-3/h9H,5-8H2,1-4H3
InChIKeyYISBHCVQEVMBNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.08
Rot. Bonds5

About ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate

ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate (PubChem CID 112561934) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
PubChem CID112561934
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1nc(C)c(C(=O)OCC)cc1CC
InChIInChI=1S/C14H21NO2/c1-5-8-13-11(6-2)9-12(10(4)15-13)14(16)17-7-3/h9H,5-8H2,1-4H3
InChIKeyYISBHCVQEVMBNO-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479
ethyl 3-propyl-1,2-thiazole-4-carboxylate
CID 127263091
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
ethyl 5-ethyl-2-methyl-1-oxido-6-propylpyridin-1-ium-3-carboxylate
CID 135067777
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethylpyridine-3-carboxylate
CID 15271344
ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 102172176
ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate (CID 112561934) is ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate is CCCc1nc(C)c(C(=O)OCC)cc1CC.
What is the InChIKey of ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate?
The InChIKey is YISBHCVQEVMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-8-13-11(6-2)9-12(10(4)15-13)14(16)17-7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate?
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate is sourced from PubChem (CID 112561934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).