4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide

C14H9N5OS — CID 58739713

IUPAC4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H9N5OS/c15-5-9-11(10(6-16)14(21)19-12(9)17)7-1-3-8(4-2-7)13(18)20/h1-4H,(H2,18,20)(H3,17,19,21)
InChIKeySQANZFDNCSGAEC-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide

4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide (PubChem CID 58739713) has the molecular formula C14H9N5OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide
PubChem CID58739713
Molecular FormulaC14H9N5OS
Molecular Weight295.33 g/mol
Exact Mass295.05
IUPAC Name4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H9N5OS/c15-5-9-11(10(6-16)14(21)19-12(9)17)7-1-3-8(4-2-7)13(18)20/h1-4H,(H2,18,20)(H3,17,19,21)
InChIKeySQANZFDNCSGAEC-UHFFFAOYSA-N
XLogP1.84
TPSA132.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide?
The IUPAC name of 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide (CID 58739713) is 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide?
The canonical SMILES for 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide is N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide?
The InChIKey is SQANZFDNCSGAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS/c15-5-9-11(10(6-16)14(21)19-12(9)17)7-1-3-8(4-2-7)13(18)20/h1-4H,(H2,18,20)(H3,17,19,21).
What are the key properties of 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide?
4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide has a molecular weight of 295.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide is sourced from PubChem (CID 58739713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).