ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate

C16H19NO2S — CID 116533106

IUPACethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(-c2sccc2C)ccc1C(=O)OCC
InChIInChI=1S/C16H19NO2S/c1-4-6-13-12(16(18)19-5-2)7-8-14(17-13)15-11(3)9-10-20-15/h7-10H,4-6H2,1-3H3
InChIKeyFULLDQWTZLBZQU-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.25
Rot. Bonds5

About ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate

ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate (PubChem CID 116533106) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate
PubChem CID116533106
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Nameethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(-c2sccc2C)ccc1C(=O)OCC
InChIInChI=1S/C16H19NO2S/c1-4-6-13-12(16(18)19-5-2)7-8-14(17-13)15-11(3)9-10-20-15/h7-10H,4-6H2,1-3H3
InChIKeyFULLDQWTZLBZQU-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate
CID 116533107
ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxylate
CID 166607481
ethyl 3-propyl-1,2-thiazole-4-carboxylate
CID 127263091
ethyl 2-(5-bromo-2-pyridinyl)-4-propylpyrimidine-5-carboxylate
CID 102972749
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 116533369
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
CID 71758644
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate (CID 116533106) is ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate is CCCc1nc(-c2sccc2C)ccc1C(=O)OCC.
What is the InChIKey of ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate?
The InChIKey is FULLDQWTZLBZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-6-13-12(16(18)19-5-2)7-8-14(17-13)15-11(3)9-10-20-15/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate?
ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate is sourced from PubChem (CID 116533106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).