(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

C15H18N2O3 — CID 107521157

IUPAC(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESCCC1COCCN1C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H18N2O3/c1-2-13-11-20-10-8-17(13)15(19)14-12(6-4-9-18)5-3-7-16-14/h3,5,7,13,18H,2,8-11H2,1H3
InChIKeyXBRRHPDHXCDUIK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.68
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (PubChem CID 107521157) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
PubChem CID107521157
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESCCC1COCCN1C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H18N2O3/c1-2-13-11-20-10-8-17(13)15(19)14-12(6-4-9-18)5-3-7-16-14/h3,5,7,13,18H,2,8-11H2,1H3
InChIKeyXBRRHPDHXCDUIK-UHFFFAOYSA-N
XLogP0.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107524854
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522288
(3-ethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 62960406
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
[3-chloro-4-(3-hydroxyprop-1-ynyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 81290258
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 107523930
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107522754
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 107523332
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999932

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (CID 107521157) is (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is CCC1COCCN1C(=O)c1ncccc1C#CCO.
What is the InChIKey of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The InChIKey is XBRRHPDHXCDUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-13-11-20-10-8-17(13)15(19)14-12(6-4-9-18)5-3-7-16-14/h3,5,7,13,18H,2,8-11H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone has a molecular weight of 274.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is sourced from PubChem (CID 107521157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).