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

C22H15F3N6OS — CID 87047938

IUPAC2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)cc1
InChIInChI=1S/C22H15F3N6OS/c1-12-2-4-13(5-3-12)19-15(8-26)20(28)31-21(16(19)9-27)33-11-18(32)30-17-7-6-14(10-29-17)22(23,24)25/h2-7,10H,11H2,1H3,(H2,28,31)(H,29,30,32)
InChIKeyQCNIFFTVNNNQQY-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.53
Rot. Bonds5

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

2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 87047938) has the molecular formula C22H15F3N6OS and a molecular weight of 468.46 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID87047938
Molecular FormulaC22H15F3N6OS
Molecular Weight468.46 g/mol
Exact Mass468.10
IUPAC Name2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)cc1
InChIInChI=1S/C22H15F3N6OS/c1-12-2-4-13(5-3-12)19-15(8-26)20(28)31-21(16(19)9-27)33-11-18(32)30-17-7-6-14(10-29-17)22(23,24)25/h2-7,10H,11H2,1H3,(H2,28,31)(H,29,30,32)
InChIKeyQCNIFFTVNNNQQY-UHFFFAOYSA-N
XLogP4.53
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047919
2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047859
2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047862
2-amino-4-(4-methoxyphenyl)-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3,5-dicarbonitrile;ethane
CID 142055219
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
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-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 23945166
2-[(6-amino-3,5-dicyano-4-cyclopropyl-2-pyridinyl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 19057984
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-2-pyridinyl)butanamide
CID 23998210
2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 58739635
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 23945196
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23861441

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 87047938) is 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is Cc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)cc1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is QCNIFFTVNNNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6OS/c1-12-2-4-13(5-3-12)19-15(8-26)20(28)31-21(16(19)9-27)33-11-18(32)30-17-7-6-14(10-29-17)22(23,24)25/h2-7,10H,11H2,1H3,(H2,28,31)(H,29,30,32).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 468.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 87047938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).