1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone

C18H22N4O3 — CID 110112558

IUPAC1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
SMILESCN(C)c1cccc(C2CN(C(=O)COc3cccnc3)CCO2)n1
InChIInChI=1S/C18H22N4O3/c1-21(2)17-7-3-6-15(20-17)16-12-22(9-10-24-16)18(23)13-25-14-5-4-8-19-11-14/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyVDJPLIAMBABYER-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.52
Rot. Bonds5

About 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone

1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone (PubChem CID 110112558) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
PubChem CID110112558
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
SMILESCN(C)c1cccc(C2CN(C(=O)COc3cccnc3)CCO2)n1
InChIInChI=1S/C18H22N4O3/c1-21(2)17-7-3-6-15(20-17)16-12-22(9-10-24-16)18(23)13-25-14-5-4-8-19-11-14/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyVDJPLIAMBABYER-UHFFFAOYSA-N
XLogP1.52
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
2-[methyl-[[(2R)-4-(2-pyridin-3-yloxyacetyl)morpholin-2-yl]methyl]amino]acetamide
CID 129477899
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 110112057
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956749

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone (CID 110112558) is 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone is CN(C)c1cccc(C2CN(C(=O)COc3cccnc3)CCO2)n1.
What is the InChIKey of 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is VDJPLIAMBABYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)17-7-3-6-15(20-17)16-12-22(9-10-24-16)18(23)13-25-14-5-4-8-19-11-14/h3-8,11,16H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone?
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 342.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 110112558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).