3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide

C23H17Cl2N5OS — CID 23861441

IUPAC3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)cc1
InChIInChI=1S/C23H17Cl2N5OS/c1-13-2-4-14(5-3-13)21-16(11-26)22(28)30-23(17(21)12-27)32-9-8-20(31)29-15-6-7-18(24)19(25)10-15/h2-7,10H,8-9H2,1H3,(H2,28,30)(H,29,31)
InChIKeyZYTSVZDMWPUKIR-UHFFFAOYSA-N
MW482.40 g/mol
LogP5.81
Rot. Bonds6

About 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide

3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide (PubChem CID 23861441) has the molecular formula C23H17Cl2N5OS and a molecular weight of 482.40 g/mol. Its IUPAC name is 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
PubChem CID23861441
Molecular FormulaC23H17Cl2N5OS
Molecular Weight482.40 g/mol
Exact Mass481.05
IUPAC Name3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)cc1
InChIInChI=1S/C23H17Cl2N5OS/c1-13-2-4-14(5-3-13)21-16(11-26)22(28)30-23(17(21)12-27)32-9-8-20(31)29-15-6-7-18(24)19(25)10-15/h2-7,10H,8-9H2,1H3,(H2,28,30)(H,29,31)
InChIKeyZYTSVZDMWPUKIR-UHFFFAOYSA-N
XLogP5.81
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide with MolForge

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Related Compounds

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
ethyl 4-[3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoate
CID 23775192
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23917237
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 23804224
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 23804269
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 23833072
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 23861472
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 23889273
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 23833063
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1243855
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53270244

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide (CID 23861441) is 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide is Cc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)cc1.
What is the InChIKey of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is ZYTSVZDMWPUKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5OS/c1-13-2-4-14(5-3-13)21-16(11-26)22(28)30-23(17(21)12-27)32-9-8-20(31)29-15-6-7-18(24)19(25)10-15/h2-7,10H,8-9H2,1H3,(H2,28,30)(H,29,31).
What are the key properties of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide?
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 482.40 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 23861441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).