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

C21H15N5OS — CID 1285620

IUPAC2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-11-16-19(14-7-3-1-4-8-14)17(12-23)21(26-20(16)24)28-13-18(27)25-15-9-5-2-6-10-15/h1-10H,13H2,(H2,24,26)(H,25,27)
InChIKeyYBJQSXTUSOKFTH-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.80
Rot. Bonds5

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

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (PubChem CID 1285620) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
PubChem CID1285620
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-11-16-19(14-7-3-1-4-8-14)17(12-23)21(26-20(16)24)28-13-18(27)25-15-9-5-2-6-10-15/h1-10H,13H2,(H2,24,26)(H,25,27)
InChIKeyYBJQSXTUSOKFTH-UHFFFAOYSA-N
XLogP3.80
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1243855
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 3394436
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 4182785
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-amino-4-(4-chlorophenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 1046975
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 23945166
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 23945196
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3123147
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 4693909
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (CID 1285620) is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is N#Cc1c(N)nc(SCC(=O)Nc2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The InChIKey is YBJQSXTUSOKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c22-11-16-19(14-7-3-1-4-8-14)17(12-23)21(26-20(16)24)28-13-18(27)25-15-9-5-2-6-10-15/h1-10H,13H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide has a molecular weight of 385.45 g/mol, XLogP of 3.80, 5 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-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1285620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).