2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide

C13H20N4O2S — CID 106324474

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C13H20N4O2S/c14-11-1-2-13(19)17(9-11)10-12(18)15-3-4-16-5-7-20-8-6-16/h1-2,9H,3-8,10,14H2,(H,15,18)
InChIKeyDUMBUKGPPGLSSY-UHFFFAOYSA-N
MW296.40 g/mol
LogP-0.40
Rot. Bonds5

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 106324474) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID106324474
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C13H20N4O2S/c14-11-1-2-13(19)17(9-11)10-12(18)15-3-4-16-5-7-20-8-6-16/h1-2,9H,3-8,10,14H2,(H,15,18)
InChIKeyDUMBUKGPPGLSSY-UHFFFAOYSA-N
XLogP-0.40
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 62815288
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 62817039
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-cyclopentylethyl)acetamide
CID 55118486
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 106163896
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(dimethylamino)propyl]acetamide
CID 62815634
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324469
5-amino-1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]pyridin-2-one
CID 62816359
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033376
2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(dimethylamino)butyl]acetamide
CID 55118154
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
3-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]amino]-2,2-dimethylpropanamide
CID 106274603
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139601

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide (CID 106324474) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide is Nc1ccc(=O)n(CC(=O)NCCN2CCSCC2)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is DUMBUKGPPGLSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-11-1-2-13(19)17(9-11)10-12(18)15-3-4-16-5-7-20-8-6-16/h1-2,9H,3-8,10,14H2,(H,15,18).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 296.40 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 106324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).