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

C21H21N5OS — CID 125117782

IUPAC2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)NC2CCCCC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H21N5OS/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/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,24,26)(H,25,27)
InChIKeyQIKXCPKXISODCZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.62
Rot. Bonds5

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

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 125117782) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
PubChem CID125117782
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)NC2CCCCC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H21N5OS/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/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,24,26)(H,25,27)
InChIKeyQIKXCPKXISODCZ-UHFFFAOYSA-N
XLogP3.62
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.62
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-phenylacetamide
CID 1285620
2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
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
2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 169433958
2-amino-4-(3-chlorophenyl)-6-(2-cyclopropyl-2-oxoethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739751
2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58739611
methyl 2-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]propanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 23833228
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
N-cycloheptyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3906065
N-cyclooctyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5019410

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide (CID 125117782) is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide 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-cyclohexylacetamide?
The InChIKey is QIKXCPKXISODCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/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/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 391.50 g/mol, XLogP of 3.62, 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-cyclohexylacetamide is sourced from PubChem (CID 125117782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).