3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

C14H14F3N5OS — CID 118148696

IUPAC3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCCSc1nccnc1C(=O)Nc1cc(C(F)(F)F)cnc1NC
InChIInChI=1S/C14H14F3N5OS/c1-3-24-13-10(19-4-5-20-13)12(23)22-9-6-8(14(15,16)17)7-21-11(9)18-2/h4-7H,3H2,1-2H3,(H,18,21)(H,22,23)
InChIKeySGOKLWZRBGDPSR-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.30
Rot. Bonds5

About 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118148696) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID118148696
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESCCSc1nccnc1C(=O)Nc1cc(C(F)(F)F)cnc1NC
InChIInChI=1S/C14H14F3N5OS/c1-3-24-13-10(19-4-5-20-13)12(23)22-9-6-8(14(15,16)17)7-21-11(9)18-2/h4-7H,3H2,1-2H3,(H,18,21)(H,22,23)
InChIKeySGOKLWZRBGDPSR-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 118148696) is 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is CCSc1nccnc1C(=O)Nc1cc(C(F)(F)F)cnc1NC.
What is the InChIKey of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is SGOKLWZRBGDPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-3-24-13-10(19-4-5-20-13)12(23)22-9-6-8(14(15,16)17)7-21-11(9)18-2/h4-7H,3H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118148696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).