4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

C10H12F3N3OS — CID 114188312

IUPAC4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c1-6-4-8(14)7(5-16-6)9(17)15-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMGXVBAFWPGHBLL-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (PubChem CID 114188312) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
PubChem CID114188312
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3OS/c1-6-4-8(14)7(5-16-6)9(17)15-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMGXVBAFWPGHBLL-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342544
4-amino-N-(2-cyclopentylethyl)-6-methylpyridine-3-carboxamide
CID 81243330
5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
4-amino-6-methyl-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817984
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 81239862
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
4-amino-6-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81240046
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 114188316
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (CID 114188312) is 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NCCSC(F)(F)F)cn1.
What is the InChIKey of 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MGXVBAFWPGHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-6-4-8(14)7(5-16-6)9(17)15-2-3-18-10(11,12)13/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114188312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).