[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C14H20FN3O3 — CID 105387018

IUPAC[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCNc1nccc(C(=O)N2CC(CO)OCC2C)c1F
InChIInChI=1S/C14H20FN3O3/c1-3-16-13-12(15)11(4-5-17-13)14(20)18-6-10(7-19)21-8-9(18)2/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyGKDZNRQFOWQKAV-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.87
Rot. Bonds4

About [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 105387018) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID105387018
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCNc1nccc(C(=O)N2CC(CO)OCC2C)c1F
InChIInChI=1S/C14H20FN3O3/c1-3-16-13-12(15)11(4-5-17-13)14(20)18-6-10(7-19)21-8-9(18)2/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyGKDZNRQFOWQKAV-UHFFFAOYSA-N
XLogP0.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone
CID 81212909
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 105387018) is [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CCNc1nccc(C(=O)N2CC(CO)OCC2C)c1F.
What is the InChIKey of [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is GKDZNRQFOWQKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-3-16-13-12(15)11(4-5-17-13)14(20)18-6-10(7-19)21-8-9(18)2/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 297.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 105387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).