methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate

C13H17NO4 — CID 137450552

IUPACmethyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C13H17NO4/c1-18-13(17)11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,15H,4-7H2,1H3
InChIKeyZCPANBFARXEUHA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.11
Rot. Bonds2

About methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate

methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate (PubChem CID 137450552) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
PubChem CID137450552
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C13H17NO4/c1-18-13(17)11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,15H,4-7H2,1H3
InChIKeyZCPANBFARXEUHA-UHFFFAOYSA-N
XLogP1.11
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449098
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
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
methyl 2-fluoro-4-[[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]benzoate
CID 175640994

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate (CID 137450552) is methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCC(O)CC2)c1=O.
What is the InChIKey of methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate?
The InChIKey is ZCPANBFARXEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-13(17)11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,15H,4-7H2,1H3.
What are the key properties of methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate?
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).