2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide

C13H10N4OS — CID 2046490

IUPAC2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1ccc(-c2cccnc2)nc1SCC(N)=O
InChIInChI=1S/C13H10N4OS/c14-6-9-3-4-11(10-2-1-5-16-7-10)17-13(9)19-8-12(15)18/h1-5,7H,8H2,(H2,15,18)
InChIKeyQXKJNSXWKYKBRV-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.59
Rot. Bonds4

About 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide

2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 2046490) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide
PubChem CID2046490
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1ccc(-c2cccnc2)nc1SCC(N)=O
InChIInChI=1S/C13H10N4OS/c14-6-9-3-4-11(10-2-1-5-16-7-10)17-13(9)19-8-12(15)18/h1-5,7H,8H2,(H2,15,18)
InChIKeyQXKJNSXWKYKBRV-UHFFFAOYSA-N
XLogP1.59
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide (CID 2046490) is 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide is N#Cc1ccc(-c2cccnc2)nc1SCC(N)=O.
What is the InChIKey of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is QXKJNSXWKYKBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-6-9-3-4-11(10-2-1-5-16-7-10)17-13(9)19-8-12(15)18/h1-5,7H,8H2,(H2,15,18).
What are the key properties of 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 270.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 2046490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).