1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

C14H19N3O5 — CID 4044166

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILESCc1ccc(OCC(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H19N3O5/c1-9-4-5-12(14(15-9)17(19)20)21-8-13(18)16-6-10(2)22-11(3)7-16/h4-5,10-11H,6-8H2,1-3H3
InChIKeyYQEFTPLHTBWGHM-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.31
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (PubChem CID 4044166) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
PubChem CID4044166
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILESCc1ccc(OCC(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H19N3O5/c1-9-4-5-12(14(15-9)17(19)20)21-8-13(18)16-6-10(2)22-11(3)7-16/h4-5,10-11H,6-8H2,1-3H3
InChIKeyYQEFTPLHTBWGHM-UHFFFAOYSA-N
XLogP1.31
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone (CID 4044166) is 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone is Cc1ccc(OCC(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])n1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
The InChIKey is YQEFTPLHTBWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-9-4-5-12(14(15-9)17(19)20)21-8-13(18)16-6-10(2)22-11(3)7-16/h4-5,10-11H,6-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone has a molecular weight of 309.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 4044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).