methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate

C15H22N2O3 — CID 124861805

IUPACmethyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc1C
InChIInChI=1S/C15H22N2O3/c1-9-8-17(11(3)12(4)20-9)14-7-6-13(10(2)16-14)15(18)19-5/h6-7,9,11-12H,8H2,1-5H3/t9-,11-,12-/m0/s1
InChIKeyJSUGQECPDWMAAA-DLOVCJGASA-N
MW278.35 g/mol
LogP2.18
Rot. Bonds2

About methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate

methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate (PubChem CID 124861805) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
PubChem CID124861805
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc1C
InChIInChI=1S/C15H22N2O3/c1-9-8-17(11(3)12(4)20-9)14-7-6-13(10(2)16-14)15(18)19-5/h6-7,9,11-12H,8H2,1-5H3/t9-,11-,12-/m0/s1
InChIKeyJSUGQECPDWMAAA-DLOVCJGASA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate (CID 124861805) is methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc1C.
What is the InChIKey of methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is JSUGQECPDWMAAA-DLOVCJGASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-8-17(11(3)12(4)20-9)14-7-6-13(10(2)16-14)15(18)19-5/h6-7,9,11-12H,8H2,1-5H3/t9-,11-,12-/m0/s1.
What are the key properties of methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate?
methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[(2S,3S,6S)-2,3,6-trimethylmorpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 124861805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).