2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

C12H16F3N3OS — CID 106433006

IUPAC2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCSC(F)(F)F)cc(N)n1
InChIInChI=1S/C12H16F3N3OS/c1-7(2)9-5-8(6-10(16)18-9)11(19)17-3-4-20-12(13,14)15/h5-7H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyQOTMQWAZHRJXBO-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (PubChem CID 106433006) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
PubChem CID106433006
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCSC(F)(F)F)cc(N)n1
InChIInChI=1S/C12H16F3N3OS/c1-7(2)9-5-8(6-10(16)18-9)11(19)17-3-4-20-12(13,14)15/h5-7H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyQOTMQWAZHRJXBO-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.77
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

3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295561
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106280078
2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 102700593
2-amino-N-(2-methoxy-2-methylpropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 104765675
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213
3-hydroxy-4-iodo-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 104627726
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312
4-bromo-1-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 103706867

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide (CID 106433006) is 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCCSC(F)(F)F)cc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
The InChIKey is QOTMQWAZHRJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-7(2)9-5-8(6-10(16)18-9)11(19)17-3-4-20-12(13,14)15/h5-7H,3-4H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide?
2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106433006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).