trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate

C18H23NO7 — CID 135005013

IUPACtrimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(C2CCCCC2)c(=O)c1C(=O)OC
InChIInChI=1S/C18H23NO7/c1-10-12(16(21)24-2)13(17(22)25-3)14(18(23)26-4)15(20)19(10)11-8-6-5-7-9-11/h11H,5-9H2,1-4H3
InChIKeyIXYMPSLDPQWWOF-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.02
Rot. Bonds4

About trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate

trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate (PubChem CID 135005013) has the molecular formula C18H23NO7 and a molecular weight of 365.38 g/mol. Its IUPAC name is trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate
PubChem CID135005013
Molecular FormulaC18H23NO7
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Nametrimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(C)n(C2CCCCC2)c(=O)c1C(=O)OC
InChIInChI=1S/C18H23NO7/c1-10-12(16(21)24-2)13(17(22)25-3)14(18(23)26-4)15(20)19(10)11-8-6-5-7-9-11/h11H,5-9H2,1-4H3
InChIKeyIXYMPSLDPQWWOF-UHFFFAOYSA-N
XLogP2.02
TPSA100.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate?
The IUPAC name of trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate (CID 135005013) is trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate.
What is the SMILES notation for trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate?
The canonical SMILES for trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate is COC(=O)c1c(C(=O)OC)c(C)n(C2CCCCC2)c(=O)c1C(=O)OC.
What is the InChIKey of trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate?
The InChIKey is IXYMPSLDPQWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO7/c1-10-12(16(21)24-2)13(17(22)25-3)14(18(23)26-4)15(20)19(10)11-8-6-5-7-9-11/h11H,5-9H2,1-4H3.
What are the key properties of trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate?
trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate has a molecular weight of 365.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 1-cyclohexyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate is sourced from PubChem (CID 135005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).