2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

C13H16N4OS — CID 43302045

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CSc1ccc(N)nc1)C1CC1
InChIInChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-12(18)7-19-10-4-5-11(15)16-6-10/h4-6,9H,2-3,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyGDFVBRDEKKHLOF-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.56
Rot. Bonds5

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 43302045) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID43302045
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CSc1ccc(N)nc1)C1CC1
InChIInChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-12(18)7-19-10-4-5-11(15)16-6-10/h4-6,9H,2-3,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyGDFVBRDEKKHLOF-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 43302045) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C#N)(NC(=O)CSc1ccc(N)nc1)C1CC1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is GDFVBRDEKKHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(8-14,9-2-3-9)17-12(18)7-19-10-4-5-11(15)16-6-10/h4-6,9H,2-3,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-[(6-amino-3-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-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 43302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).