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

C17H25N3O3 — CID 124943141

IUPAC1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESNc1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C17H25N3O3/c18-15-6-4-5-13(19-15)14-12-20(9-10-23-14)16(21)11-17(22)7-2-1-3-8-17/h4-6,14,22H,1-3,7-12H2,(H2,18,19)/t14-/m0/s1
InChIKeyBAMLXUDWQZXNOX-AWEZNQCLSA-N
MW319.40 g/mol
LogP1.65
Rot. Bonds3

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

1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 124943141) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
PubChem CID124943141
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
SMILESNc1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1
InChIInChI=1S/C17H25N3O3/c18-15-6-4-5-13(19-15)14-12-20(9-10-23-14)16(21)11-17(22)7-2-1-3-8-17/h4-6,14,22H,1-3,7-12H2,(H2,18,19)/t14-/m0/s1
InChIKeyBAMLXUDWQZXNOX-AWEZNQCLSA-N
XLogP1.65
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-cyclohexylethanone
CID 124970514
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110112351
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 125019995
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110112317
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124988458
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125021944

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone (CID 124943141) is 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone is Nc1cccc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1.
What is the InChIKey of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is BAMLXUDWQZXNOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-15-6-4-5-13(19-15)14-12-20(9-10-23-14)16(21)11-17(22)7-2-1-3-8-17/h4-6,14,22H,1-3,7-12H2,(H2,18,19)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone?
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 124943141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).