3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide

C13H19N3O2S — CID 25469896

IUPAC3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
SMILESCSCCC(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C13H19N3O2S/c1-19-9-4-13(17)15-12-3-2-11(10-14-12)16-5-7-18-8-6-16/h2-3,10H,4-9H2,1H3,(H,14,15,17)
InChIKeyKKXJJSRWMGMINC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.61
Rot. Bonds5

About 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide

3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide (PubChem CID 25469896) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
PubChem CID25469896
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
SMILESCSCCC(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C13H19N3O2S/c1-19-9-4-13(17)15-12-3-2-11(10-14-12)16-5-7-18-8-6-16/h2-3,10H,4-9H2,1H3,(H,14,15,17)
InChIKeyKKXJJSRWMGMINC-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
3-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 38140626
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832
2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 18209874
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42943283
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 37029167
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide (CID 25469896) is 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide is CSCCC(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide?
The InChIKey is KKXJJSRWMGMINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-19-9-4-13(17)15-12-3-2-11(10-14-12)16-5-7-18-8-6-16/h2-3,10H,4-9H2,1H3,(H,14,15,17).
What are the key properties of 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide?
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide has a molecular weight of 281.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 25469896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).