3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide

C14H15F3N4OS — CID 146108024

IUPAC3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NCc1c(C(F)(F)F)cnn1C
InChIInChI=1S/C14H15F3N4OS/c1-21-11(10(6-20-21)14(15,16)17)7-19-13(22)12-9(8-23-2)4-3-5-18-12/h3-6H,7-8H2,1-2H3,(H,19,22)
InChIKeyYUOHXXNEDXNWEI-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.63
Rot. Bonds5

About 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide

3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 146108024) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID146108024
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NCc1c(C(F)(F)F)cnn1C
InChIInChI=1S/C14H15F3N4OS/c1-21-11(10(6-20-21)14(15,16)17)7-19-13(22)12-9(8-23-2)4-3-5-18-12/h3-6H,7-8H2,1-2H3,(H,19,22)
InChIKeyYUOHXXNEDXNWEI-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
1,3,3-trimethyl-4-[3-(methylsulfanylmethyl)pyridine-2-carbonyl]quinoxalin-2-one
CID 138030877
N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089533
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
2,2-dimethyl-N-[3-(methylsulfanylmethyl)-2-pyridinyl]propanamide
CID 13154241
1-imidazo[1,2-a]pyridin-2-yl-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 126818034
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide (CID 146108024) is 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide is CSCc1cccnc1C(=O)NCc1c(C(F)(F)F)cnn1C.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is YUOHXXNEDXNWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-21-11(10(6-20-21)14(15,16)17)7-19-13(22)12-9(8-23-2)4-3-5-18-12/h3-6H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide?
3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146108024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).