methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate

C15H19F3N2O3 — CID 133489109

IUPACmethyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nc1OC
InChIInChI=1S/C15H19F3N2O3/c1-22-13-11(14(21)23-2)6-7-12(20-13)19-10-5-3-4-9(8-10)15(16,17)18/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyNLYVOEAJUGDOMM-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.41
Rot. Bonds4

About methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate

methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate (PubChem CID 133489109) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
PubChem CID133489109
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Namemethyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nc1OC
InChIInChI=1S/C15H19F3N2O3/c1-22-13-11(14(21)23-2)6-7-12(20-13)19-10-5-3-4-9(8-10)15(16,17)18/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyNLYVOEAJUGDOMM-UHFFFAOYSA-N
XLogP3.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate (CID 133489109) is methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC2CCCC(C(F)(F)F)C2)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate?
The InChIKey is NLYVOEAJUGDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-13-11(14(21)23-2)6-7-12(20-13)19-10-5-3-4-9(8-10)15(16,17)18/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate?
methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate has a molecular weight of 332.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133489109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).