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

C17H15N5O2S — CID 2868371

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C17H15N5O2S/c1-2-24-14-6-4-3-5-13(14)21-15(23)10-25-17-12(9-19)7-11(8-18)16(20)22-17/h3-7H,2,10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyMYWRFFKONORMFJ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.54
Rot. Bonds6

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

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 2868371) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID2868371
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C17H15N5O2S/c1-2-24-14-6-4-3-5-13(14)21-15(23)10-25-17-12(9-19)7-11(8-18)16(20)22-17/h3-7H,2,10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyMYWRFFKONORMFJ-UHFFFAOYSA-N
XLogP2.54
TPSA124.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.54
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-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CID 2868371) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is MYWRFFKONORMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-2-24-14-6-4-3-5-13(14)21-15(23)10-25-17-12(9-19)7-11(8-18)16(20)22-17/h3-7H,2,10H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.54, 6 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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 2868371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).