2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

C12H19N3OS — CID 107339531

IUPAC2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H19N3OS/c1-9(8-17-3)15(2)12(16)6-11-5-4-10(13)7-14-11/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyZKSIUMAJORNTNA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.42
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 107339531) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID107339531
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H19N3OS/c1-9(8-17-3)15(2)12(16)6-11-5-4-10(13)7-14-11/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyZKSIUMAJORNTNA-UHFFFAOYSA-N
XLogP1.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 107337947
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
CID 158610916
2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120621646
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
CID 120618159
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-(5-amino-2-pyridinyl)-N-cyclohexyl-N-methylacetamide
CID 107337433
2-(5-amino-2-pyridinyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 107338609

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 107339531) is 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)N(C)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is ZKSIUMAJORNTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(8-17-3)15(2)12(16)6-11-5-4-10(13)7-14-11/h4-5,7,9H,6,8,13H2,1-3H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 107339531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).