ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate

C15H23NO3 — CID 144628092

IUPACethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1c(C)ccnc1OC1CCCC1
InChIInChI=1S/C13H17NO3.C2H6/c1-9-7-8-14-12(11(9)13(15)16-2)17-10-5-3-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3
InChIKeyMFEVNRNBYSVTNH-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.52
Rot. Bonds3

About ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate

ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate (PubChem CID 144628092) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
PubChem CID144628092
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1c(C)ccnc1OC1CCCC1
InChIInChI=1S/C13H17NO3.C2H6/c1-9-7-8-14-12(11(9)13(15)16-2)17-10-5-3-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3
InChIKeyMFEVNRNBYSVTNH-UHFFFAOYSA-N
XLogP3.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate?
The IUPAC name of ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate (CID 144628092) is ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate is CC.COC(=O)c1c(C)ccnc1OC1CCCC1.
What is the InChIKey of ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate?
The InChIKey is MFEVNRNBYSVTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.C2H6/c1-9-7-8-14-12(11(9)13(15)16-2)17-10-5-3-4-6-10;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate?
ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 144628092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).