1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone

C18H21N3O4 — CID 110112348

IUPAC1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCOC(c3cccc(N)n3)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-23-13-5-7-14(8-6-13)25-12-18(22)21-9-10-24-16(11-21)15-3-2-4-17(19)20-15/h2-8,16H,9-12H2,1H3,(H2,19,20)
InChIKeyNMPGXYMQFLYPQH-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone

1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 110112348) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID110112348
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCOC(c3cccc(N)n3)C2)cc1
InChIInChI=1S/C18H21N3O4/c1-23-13-5-7-14(8-6-13)25-12-18(22)21-9-10-24-16(11-21)15-3-2-4-17(19)20-15/h2-8,16H,9-12H2,1H3,(H2,19,20)
InChIKeyNMPGXYMQFLYPQH-UHFFFAOYSA-N
XLogP1.65
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-cyclohexylethanone
CID 124970514
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110112351
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 124943141
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 125019995
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone (CID 110112348) is 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCOC(c3cccc(N)n3)C2)cc1.
What is the InChIKey of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is NMPGXYMQFLYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-13-5-7-14(8-6-13)25-12-18(22)21-9-10-24-16(11-21)15-3-2-4-17(19)20-15/h2-8,16H,9-12H2,1H3,(H2,19,20).
What are the key properties of 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone?
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 343.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 110112348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).