[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone

C20H24N2O5 — CID 167530878

IUPAC[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO
InChIInChI=1S/C20H24N2O5/c1-14-18(24)5-2-6-19(14)27-13-15-12-26-11-9-22(15)20(25)16-4-3-8-21-17(16)7-10-23/h2-6,8,15,23-24H,7,9-13H2,1H3/t15-/m0/s1
InChIKeyQTUUUHDFNXQFPJ-HNNXBMFYSA-N
MW372.42 g/mol
LogP1.55
Rot. Bonds6

About [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone

[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone (PubChem CID 167530878) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone
PubChem CID167530878
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone
SMILESCc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO
InChIInChI=1S/C20H24N2O5/c1-14-18(24)5-2-6-19(14)27-13-15-12-26-11-9-22(15)20(25)16-4-3-8-21-17(16)7-10-23/h2-6,8,15,23-24H,7,9-13H2,1H3/t15-/m0/s1
InChIKeyQTUUUHDFNXQFPJ-HNNXBMFYSA-N
XLogP1.55
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
5-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]-2-iodo-2-methyl-1,3-benzodioxin-4-one
CID 166131599
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 90437692
1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone
CID 158343677
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567658
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone (CID 167530878) is [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone is Cc1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone?
The InChIKey is QTUUUHDFNXQFPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14-18(24)5-2-6-19(14)27-13-15-12-26-11-9-22(15)20(25)16-4-3-8-21-17(16)7-10-23/h2-6,8,15,23-24H,7,9-13H2,1H3/t15-/m0/s1.
What are the key properties of [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone?
[2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)-3-pyridinyl]-[(3S)-3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 167530878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).