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

C17H12F3N5O2S — CID 23007649

IUPAC2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(C#N)c(N)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C#N
InChIInChI=1S/C17H12F3N5O2S/c1-9-12(6-21)15(23)25-16(13(9)7-22)28-8-14(26)24-10-2-4-11(5-3-10)27-17(18,19)20/h2-5H,8H2,1H3,(H2,23,25)(H,24,26)
InChIKeyHTRUVPIDHCSOHD-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.34
Rot. Bonds5

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

2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 23007649) has the molecular formula C17H12F3N5O2S and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID23007649
Molecular FormulaC17H12F3N5O2S
Molecular Weight407.38 g/mol
Exact Mass407.07
IUPAC Name2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(C#N)c(N)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C#N
InChIInChI=1S/C17H12F3N5O2S/c1-9-12(6-21)15(23)25-16(13(9)7-22)28-8-14(26)24-10-2-4-11(5-3-10)27-17(18,19)20/h2-5H,8H2,1H3,(H2,23,25)(H,24,26)
InChIKeyHTRUVPIDHCSOHD-UHFFFAOYSA-N
XLogP3.34
TPSA124.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(4-acetylphenyl)-2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]acetamide
CID 23007666
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 23007680
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 4184429
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-[5-cyano-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methylsulfanylpyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16751203
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7816904
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 23007649) is 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1c(C#N)c(N)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C#N.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HTRUVPIDHCSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2S/c1-9-12(6-21)15(23)25-16(13(9)7-22)28-8-14(26)24-10-2-4-11(5-3-10)27-17(18,19)20/h2-5H,8H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 407.38 g/mol, XLogP of 3.34, 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-methyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 23007649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).