methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate

C14H19NO3 — CID 158924385

IUPACmethyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@H]2CCC[C@H](C)C2)c1=O
InChIInChI=1S/C14H19NO3/c1-10-5-3-6-11(9-10)15-8-4-7-12(13(15)16)14(17)18-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m0/s1
InChIKeyJLMLMILPFKBAHH-QWRGUYRKSA-N
MW249.31 g/mol
LogP2.39
Rot. Bonds2

About methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate

methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate (PubChem CID 158924385) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
PubChem CID158924385
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@H]2CCC[C@H](C)C2)c1=O
InChIInChI=1S/C14H19NO3/c1-10-5-3-6-11(9-10)15-8-4-7-12(13(15)16)14(17)18-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m0/s1
InChIKeyJLMLMILPFKBAHH-QWRGUYRKSA-N
XLogP2.39
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
1-(3-methylcyclohexyl)pyrrole-2-carbaldehyde
CID 43476950
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450691
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
methyl 2-[(3-methylcyclohexyl)sulfanylmethyl]benzoate
CID 82975836

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate (CID 158924385) is methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn([C@H]2CCC[C@H](C)C2)c1=O.
What is the InChIKey of methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate?
The InChIKey is JLMLMILPFKBAHH-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-3-6-11(9-10)15-8-4-7-12(13(15)16)14(17)18-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate?
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 158924385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).