ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate

C17H24N2O3 — CID 55632052

IUPACethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCCC2CCCC2)nc1C
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-9-15(19-12(14)2)16(20)18-11-10-13-6-4-5-7-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyPCALZPUPNBFUPX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.88
Rot. Bonds6

About ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate

ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate (PubChem CID 55632052) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate
PubChem CID55632052
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCCC2CCCC2)nc1C
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-9-15(19-12(14)2)16(20)18-11-10-13-6-4-5-7-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyPCALZPUPNBFUPX-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate (CID 55632052) is ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)NCCC2CCCC2)nc1C.
What is the InChIKey of ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate?
The InChIKey is PCALZPUPNBFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)14-8-9-15(19-12(14)2)16(20)18-11-10-13-6-4-5-7-13/h8-9,13H,3-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyclopentylethylcarbamoyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55632052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).