(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone

C13H18FN3OS — CID 105387603

IUPAC(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2ccnc(NC)c2F)CCS1
InChIInChI=1S/C13H18FN3OS/c1-3-9-8-17(6-7-19-9)13(18)10-4-5-16-12(15-2)11(10)14/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyQPEXUGPZWTZFBP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.23
Rot. Bonds3

About (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone

(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (PubChem CID 105387603) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
PubChem CID105387603
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2ccnc(NC)c2F)CCS1
InChIInChI=1S/C13H18FN3OS/c1-3-9-8-17(6-7-19-9)13(18)10-4-5-16-12(15-2)11(10)14/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyQPEXUGPZWTZFBP-UHFFFAOYSA-N
XLogP2.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228724
(2-ethylthiomorpholin-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 115661644
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 106687317
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993
[3-fluoro-2-(methylamino)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965878
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 105387522
3,4-dihydro-1H-isoquinolin-2-yl-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384411

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone (CID 105387603) is (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is CCC1CN(C(=O)c2ccnc(NC)c2F)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is QPEXUGPZWTZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c1-3-9-8-17(6-7-19-9)13(18)10-4-5-16-12(15-2)11(10)14/h4-5,9H,3,6-8H2,1-2H3,(H,15,16).
What are the key properties of (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone?
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 283.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105387603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).