bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate

C23H31N3O8 — CID 42988833

IUPACbis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCC1CN(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)n2)CC(C)O1
InChIInChI=1S/C23H31N3O8/c1-14-8-25(9-15(2)33-14)20(27)12-31-22(29)18-6-5-7-19(24-18)23(30)32-13-21(28)26-10-16(3)34-17(4)11-26/h5-7,14-17H,8-13H2,1-4H3
InChIKeyVYJQCGPHIUKRIW-UHFFFAOYSA-N
MW477.51 g/mol
LogP0.67
Rot. Bonds6

About bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate

bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate (PubChem CID 42988833) has the molecular formula C23H31N3O8 and a molecular weight of 477.51 g/mol. Its IUPAC name is bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
PubChem CID42988833
Molecular FormulaC23H31N3O8
Molecular Weight477.51 g/mol
Exact Mass477.21
IUPAC Namebis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCC1CN(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)n2)CC(C)O1
InChIInChI=1S/C23H31N3O8/c1-14-8-25(9-15(2)33-14)20(27)12-31-22(29)18-6-5-7-19(24-18)23(30)32-13-21(28)26-10-16(3)34-17(4)11-26/h5-7,14-17H,8-13H2,1-4H3
InChIKeyVYJQCGPHIUKRIW-UHFFFAOYSA-N
XLogP0.67
TPSA124.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470890
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7427415
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
CID 29461353
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825087
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41182884
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18199415

Frequently Asked Questions

What is the IUPAC name of bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate (CID 42988833) is bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate is CC1CN(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)N3CC(C)OC(C)C3)n2)CC(C)O1.
What is the InChIKey of bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The InChIKey is VYJQCGPHIUKRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O8/c1-14-8-25(9-15(2)33-14)20(27)12-31-22(29)18-6-5-7-19(24-18)23(30)32-13-21(28)26-10-16(3)34-17(4)11-26/h5-7,14-17H,8-13H2,1-4H3.
What are the key properties of bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate?
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate has a molecular weight of 477.51 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 42988833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).