2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile

C21H13N5O2S — CID 142055117

IUPAC2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C=O)c2ccccc2)c(C#N)c1-c1ccc(N=O)cc1
InChIInChI=1S/C21H13N5O2S/c22-10-16-19(14-6-8-15(26-28)9-7-14)17(11-23)21(25-20(16)24)29-18(12-27)13-4-2-1-3-5-13/h1-9,12,18H,(H2,24,25)
InChIKeyFYDTZIPPXBWEPS-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.50
Rot. Bonds6

About 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 142055117) has the molecular formula C21H13N5O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID142055117
Molecular FormulaC21H13N5O2S
Molecular Weight399.44 g/mol
Exact Mass399.08
IUPAC Name2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C=O)c2ccccc2)c(C#N)c1-c1ccc(N=O)cc1
InChIInChI=1S/C21H13N5O2S/c22-10-16-19(14-6-8-15(26-28)9-7-14)17(11-23)21(25-20(16)24)29-18(12-27)13-4-2-1-3-5-13/h1-9,12,18H,(H2,24,25)
InChIKeyFYDTZIPPXBWEPS-UHFFFAOYSA-N
XLogP4.50
TPSA132.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270242
methyl 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetate
CID 135980955
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270249
2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58739611
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 58739847
2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739468
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 53269805
2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 24796393
2-amino-4-(4-chlorophenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 1046975
2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 760984
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile (CID 142055117) is 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC(C=O)c2ccccc2)c(C#N)c1-c1ccc(N=O)cc1.
What is the InChIKey of 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is FYDTZIPPXBWEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2S/c22-10-16-19(14-6-8-15(26-28)9-7-14)17(11-23)21(25-20(16)24)29-18(12-27)13-4-2-1-3-5-13/h1-9,12,18H,(H2,24,25).
What are the key properties of 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 399.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 142055117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).