N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide

C20H24N6OS — CID 164624585

IUPACN-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
SMILESCn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1
InChIInChI=1S/C20H24N6OS/c1-26-19(15-10-12-22-13-11-15)24-25-20(26)28-14-6-2-3-9-18(27)23-17-8-5-4-7-16(17)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,23,27)
InChIKeyZTUDEIWRPCQIEU-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.75
Rot. Bonds9

About N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide

N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide (PubChem CID 164624585) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
PubChem CID164624585
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide
SMILESCn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1
InChIInChI=1S/C20H24N6OS/c1-26-19(15-10-12-22-13-11-15)24-25-20(26)28-14-6-2-3-9-18(27)23-17-8-5-4-7-16(17)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,23,27)
InChIKeyZTUDEIWRPCQIEU-UHFFFAOYSA-N
XLogP3.75
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1122655
N-(2,6-Dimethyl-phenyl)-2-(5-pyridin-4-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-propionamide
CID 3166942
2-(4-Methyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
CID 938135
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9580009
N-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 865893
N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
N-(2,4-difluorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1265808
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
N-(2,5-Dimethylphenyl)-2-{[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 663112
2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
N-(4-Fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-YL)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-YL}sulfanyl)acetamide
CID 5307605
N-(2,4-dimethylphenyl)-2-{[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
CID 854427

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide?
The IUPAC name of N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide (CID 164624585) is N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide is Cn1c(SCCCCCC(=O)Nc2ccccc2N)nnc1-c1ccncc1.
What is the InChIKey of N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide?
The InChIKey is ZTUDEIWRPCQIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-26-19(15-10-12-22-13-11-15)24-25-20(26)28-14-6-2-3-9-18(27)23-17-8-5-4-7-16(17)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,23,27).
What are the key properties of N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide?
N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide has a molecular weight of 396.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]hexanamide is sourced from PubChem (CID 164624585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).