2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C14H11F3N2O2S — CID 2083057

IUPAC2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O2S/c1-22-13-11(3-2-8-18-13)12(20)19-9-4-6-10(7-5-9)21-14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyGATPOZJVRYCWQQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.95
Rot. Bonds4

About 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 2083057) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID2083057
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O2S/c1-22-13-11(3-2-8-18-13)12(20)19-9-4-6-10(7-5-9)21-14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyGATPOZJVRYCWQQ-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 2083057) is 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GATPOZJVRYCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c1-22-13-11(3-2-8-18-13)12(20)19-9-4-6-10(7-5-9)21-14(15,16)17/h2-8H,1H3,(H,19,20).
What are the key properties of 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2083057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).