2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide

C19H11ClF3N5OS — CID 2225078

IUPAC2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C19H11ClF3N5OS/c20-12-4-2-11(3-5-12)15-8-14(19(21,22)23)13(9-24)17(27-15)30-10-16(29)28-18-25-6-1-7-26-18/h1-8H,10H2,(H,25,26,28,29)
InChIKeyWHNQNKYKDSLDKM-UHFFFAOYSA-N
MW449.85 g/mol
LogP4.81
Rot. Bonds5

About 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide

2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide (PubChem CID 2225078) has the molecular formula C19H11ClF3N5OS and a molecular weight of 449.85 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide
PubChem CID2225078
Molecular FormulaC19H11ClF3N5OS
Molecular Weight449.85 g/mol
Exact Mass449.03
IUPAC Name2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ncccn1
InChIInChI=1S/C19H11ClF3N5OS/c20-12-4-2-11(3-5-12)15-8-14(19(21,22)23)13(9-24)17(27-15)30-10-16(29)28-18-25-6-1-7-26-18/h1-8H,10H2,(H,25,26,28,29)
InChIKeyWHNQNKYKDSLDKM-UHFFFAOYSA-N
XLogP4.81
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide (CID 2225078) is 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide is N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ncccn1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is WHNQNKYKDSLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5OS/c20-12-4-2-11(3-5-12)15-8-14(19(21,22)23)13(9-24)17(27-15)30-10-16(29)28-18-25-6-1-7-26-18/h1-8H,10H2,(H,25,26,28,29).
What are the key properties of 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide?
2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 449.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2225078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).