(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone

C17H18N2O3 — CID 124572458

IUPAC(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncccc2O)[C@H](c2ccccc2)CO1
InChIInChI=1S/C17H18N2O3/c1-12-10-19(17(21)16-15(20)8-5-9-18-16)14(11-22-12)13-6-3-2-4-7-13/h2-9,12,14,20H,10-11H2,1H3/t12-,14-/m0/s1
InChIKeyJFOWWICYQPEVKF-JSGCOSHPSA-N
MW298.34 g/mol
LogP2.39
Rot. Bonds2

About (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone

(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone (PubChem CID 124572458) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
PubChem CID124572458
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncccc2O)[C@H](c2ccccc2)CO1
InChIInChI=1S/C17H18N2O3/c1-12-10-19(17(21)16-15(20)8-5-9-18-16)14(11-22-12)13-6-3-2-4-7-13/h2-9,12,14,20H,10-11H2,1H3/t12-,14-/m0/s1
InChIKeyJFOWWICYQPEVKF-JSGCOSHPSA-N
XLogP2.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 97023947
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736013
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736015
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852
[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-(5-nitrothiophen-2-yl)methanone
CID 124607700
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone (CID 124572458) is (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ncccc2O)[C@H](c2ccccc2)CO1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The InChIKey is JFOWWICYQPEVKF-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-10-19(17(21)16-15(20)8-5-9-18-16)14(11-22-12)13-6-3-2-4-7-13/h2-9,12,14,20H,10-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone?
(3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone has a molecular weight of 298.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 124572458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).