2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide

C16H10N6OS — CID 3104337

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H10N6OS/c17-6-10-1-3-13(4-2-10)21-14(23)9-24-16-12(8-19)5-11(7-18)15(20)22-16/h1-5H,9H2,(H2,20,22)(H,21,23)
InChIKeyJKQQHLDAJAKQNF-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.01
Rot. Bonds4

About 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide (PubChem CID 3104337) has the molecular formula C16H10N6OS and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide
PubChem CID3104337
Molecular FormulaC16H10N6OS
Molecular Weight334.36 g/mol
Exact Mass334.06
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H10N6OS/c17-6-10-1-3-13(4-2-10)21-14(23)9-24-16-12(8-19)5-11(7-18)15(20)22-16/h1-5H,9H2,(H2,20,22)(H,21,23)
InChIKeyJKQQHLDAJAKQNF-UHFFFAOYSA-N
XLogP2.01
TPSA139.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide (CID 3104337) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide?
The InChIKey is JKQQHLDAJAKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6OS/c17-6-10-1-3-13(4-2-10)21-14(23)9-24-16-12(8-19)5-11(7-18)15(20)22-16/h1-5H,9H2,(H2,20,22)(H,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide has a molecular weight of 334.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 3104337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).