3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C17H16F6N4O2S — CID 118900966

IUPAC3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)c(=O)n(C)c1NC
InChIInChI=1S/C17H16F6N4O2S/c1-4-30-11-5-8(16(18,19)20)7-25-12(11)14(28)26-10-6-9(17(21,22)23)15(29)27(3)13(10)24-2/h5-7,24H,4H2,1-3H3,(H,26,28)
InChIKeyFVSNNAXVDCEVFL-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.22
Rot. Bonds5

About 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118900966) has the molecular formula C17H16F6N4O2S and a molecular weight of 454.40 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118900966
Molecular FormulaC17H16F6N4O2S
Molecular Weight454.40 g/mol
Exact Mass454.09
IUPAC Name3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)c(=O)n(C)c1NC
InChIInChI=1S/C17H16F6N4O2S/c1-4-30-11-5-8(16(18,19)20)7-25-12(11)14(28)26-10-6-9(17(21,22)23)15(29)27(3)13(10)24-2/h5-7,24H,4H2,1-3H3,(H,26,28)
InChIKeyFVSNNAXVDCEVFL-UHFFFAOYSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 118900966) is 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)c(=O)n(C)c1NC.
What is the InChIKey of 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FVSNNAXVDCEVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N4O2S/c1-4-30-11-5-8(16(18,19)20)7-25-12(11)14(28)26-10-6-9(17(21,22)23)15(29)27(3)13(10)24-2/h5-7,24H,4H2,1-3H3,(H,26,28).
What are the key properties of 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 454.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-methyl-2-(methylamino)-6-oxo-5-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118900966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).