methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate

C13H17NO3 — CID 15946190

IUPACmethyl 1-cyclohexyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C2CCCCC2)c1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-7-8-12(15)14(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyYTGQOKOEIKDGDD-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.14
Rot. Bonds2

About methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate

methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate (PubChem CID 15946190) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-6-oxopyridine-3-carboxylate
PubChem CID15946190
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 1-cyclohexyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C2CCCCC2)c1
InChIInChI=1S/C13H17NO3/c1-17-13(16)10-7-8-12(15)14(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyYTGQOKOEIKDGDD-UHFFFAOYSA-N
XLogP2.14
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate (CID 15946190) is methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(C2CCCCC2)c1.
What is the InChIKey of methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate?
The InChIKey is YTGQOKOEIKDGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)10-7-8-12(15)14(9-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate?
methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 15946190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).