methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate

C14H19NO4 — CID 137449925

IUPACmethyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCCC(OC)C2)c1=O
InChIInChI=1S/C14H19NO4/c1-18-11-6-3-5-10(9-11)15-8-4-7-12(13(15)16)14(17)19-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyUJCMAYIRSKKKBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.76
Rot. Bonds3

About methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate

methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate (PubChem CID 137449925) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
PubChem CID137449925
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCCC(OC)C2)c1=O
InChIInChI=1S/C14H19NO4/c1-18-11-6-3-5-10(9-11)15-8-4-7-12(13(15)16)14(17)19-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyUJCMAYIRSKKKBG-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457664
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid
CID 175758604
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate (CID 137449925) is methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCCC(OC)C2)c1=O.
What is the InChIKey of methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate?
The InChIKey is UJCMAYIRSKKKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-6-3-5-10(9-11)15-8-4-7-12(13(15)16)14(17)19-2/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate?
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137449925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).