2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

C13H16N4OS — CID 43301359

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CSc1ccc(N)cn1)C1CC1
InChIInChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-11(18)7-19-12-5-4-10(15)6-16-12/h4-6,9H,2-3,7,15H2,1H3,(H,17,18)
InChIKeyZGUGHTAISDSZNG-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.56
Rot. Bonds5

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 43301359) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID43301359
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CSc1ccc(N)cn1)C1CC1
InChIInChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-11(18)7-19-12-5-4-10(15)6-16-12/h4-6,9H,2-3,7,15H2,1H3,(H,17,18)
InChIKeyZGUGHTAISDSZNG-UHFFFAOYSA-N
XLogP1.56
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 43302045
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43301360
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7759477
2-(5-amino-2-chlorophenyl)sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 79133889
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8024703
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
N-(1-cyano-1-cyclopropylethyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 51141565
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889421
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 63089412
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43301392
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78764782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 43301359) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C#N)(NC(=O)CSc1ccc(N)cn1)C1CC1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is ZGUGHTAISDSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-11(18)7-19-12-5-4-10(15)6-16-12/h4-6,9H,2-3,7,15H2,1H3,(H,17,18).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 43301359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).