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

C24H21N5OS — CID 23945196

IUPAC3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3cccc(C)c3)c2C#N)cc1
InChIInChI=1S/C24H21N5OS/c1-15-6-8-17(9-7-15)22-19(13-25)23(27)29-24(20(22)14-26)31-11-10-21(30)28-18-5-3-4-16(2)12-18/h3-9,12H,10-11H2,1-2H3,(H2,27,29)(H,28,30)
InChIKeyOOUFTTWGEGYTDN-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.81
Rot. Bonds6

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

3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide (PubChem CID 23945196) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
PubChem CID23945196
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3cccc(C)c3)c2C#N)cc1
InChIInChI=1S/C24H21N5OS/c1-15-6-8-17(9-7-15)22-19(13-25)23(27)29-24(20(22)14-26)31-11-10-21(30)28-18-5-3-4-16(2)12-18/h3-9,12H,10-11H2,1-2H3,(H2,27,29)(H,28,30)
InChIKeyOOUFTTWGEGYTDN-UHFFFAOYSA-N
XLogP4.81
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23861441
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 23945166
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]-N-(3-methoxyphenyl)propanamide
CID 23804269
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-(2,6-dimethylphenyl)propanamide
CID 23833072
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)butanamide
CID 23942432
3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 23804224
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
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-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23973371
3-[(6-amino-3,5-dicyano-4-thiophen-3-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23973254

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide (CID 23945196) is 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide is Cc1ccc(-c2c(C#N)c(N)nc(SCCC(=O)Nc3cccc(C)c3)c2C#N)cc1.
What is the InChIKey of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide?
The InChIKey is OOUFTTWGEGYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-15-6-8-17(9-7-15)22-19(13-25)23(27)29-24(20(22)14-26)31-11-10-21(30)28-18-5-3-4-16(2)12-18/h3-9,12H,10-11H2,1-2H3,(H2,27,29)(H,28,30).
What are the key properties of 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide?
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide has a molecular weight of 427.53 g/mol, XLogP of 4.81, 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-methylphenyl)propanamide is sourced from PubChem (CID 23945196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).