3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide

C15H14F3N3OS2 — CID 118113343

IUPAC3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1ccc(SC(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3OS2/c1-3-23-11-5-4-8-19-13(11)14(22)21(2)12-7-6-10(9-20-12)24-15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyXZSZVIPHDNLNFK-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.48
Rot. Bonds5

About 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide

3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 118113343) has the molecular formula C15H14F3N3OS2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID118113343
Molecular FormulaC15H14F3N3OS2
Molecular Weight373.43 g/mol
Exact Mass373.05
IUPAC Name3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1ccc(SC(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3OS2/c1-3-23-11-5-4-8-19-13(11)14(22)21(2)12-7-6-10(9-20-12)24-15(16,17)18/h4-9H,3H2,1-2H3
InChIKeyXZSZVIPHDNLNFK-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide (CID 118113343) is 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide is CCSc1cccnc1C(=O)N(C)c1ccc(SC(F)(F)F)cn1.
What is the InChIKey of 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is XZSZVIPHDNLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS2/c1-3-23-11-5-4-8-19-13(11)14(22)21(2)12-7-6-10(9-20-12)24-15(16,17)18/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide?
3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 118113343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).