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

C15H10FN5OS — CID 3505506

IUPAC2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C15H10FN5OS/c16-11-1-3-12(4-2-11)20-13(22)8-23-15-10(7-18)5-9(6-17)14(19)21-15/h1-5H,8H2,(H2,19,21)(H,20,22)
InChIKeyMQRXUZWWWNYINL-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.28
Rot. Bonds4

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

2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 3505506) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID3505506
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C15H10FN5OS/c16-11-1-3-12(4-2-11)20-13(22)8-23-15-10(7-18)5-9(6-17)14(19)21-15/h1-5H,8H2,(H2,19,21)(H,20,22)
InChIKeyMQRXUZWWWNYINL-UHFFFAOYSA-N
XLogP2.28
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 3505506) is 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide is N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is MQRXUZWWWNYINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-11-1-3-12(4-2-11)20-13(22)8-23-15-10(7-18)5-9(6-17)14(19)21-15/h1-5H,8H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3505506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).