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

C16H13N5O2S — CID 3116122

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N5O2S/c1-23-13-4-2-12(3-5-13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyXRXNZQSIYLFDNZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.15
Rot. Bonds5

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

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3116122) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID3116122
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1
InChIInChI=1S/C16H13N5O2S/c1-23-13-4-2-12(3-5-13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyXRXNZQSIYLFDNZ-UHFFFAOYSA-N
XLogP2.15
TPSA124.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.15
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-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 3116122) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(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-methoxyphenyl)acetamide?
The InChIKey is XRXNZQSIYLFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-23-13-4-2-12(3-5-13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 339.38 g/mol, XLogP of 2.15, 5 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-methoxyphenyl)acetamide is sourced from PubChem (CID 3116122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).