3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C11H13F3N2O2S — CID 129177672

IUPAC3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)N(C)OC
InChIInChI=1S/C11H13F3N2O2S/c1-4-19-8-5-7(11(12,13)14)6-15-9(8)10(17)16(2)18-3/h5-6H,4H2,1-3H3
InChIKeyBMZCJSRXCLNAFJ-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.85
Rot. Bonds4

About 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 129177672) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID129177672
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)N(C)OC
InChIInChI=1S/C11H13F3N2O2S/c1-4-19-8-5-7(11(12,13)14)6-15-9(8)10(17)16(2)18-3/h5-6H,4H2,1-3H3
InChIKeyBMZCJSRXCLNAFJ-UHFFFAOYSA-N
XLogP2.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 129177672) is 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is CCSc1cc(C(F)(F)F)cnc1C(=O)N(C)OC.
What is the InChIKey of 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BMZCJSRXCLNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-4-19-8-5-7(11(12,13)14)6-15-9(8)10(17)16(2)18-3/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-methoxy-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 129177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).