N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride

C12H15ClF3N3OS — CID 119553397

IUPACN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccnc1SC(F)(F)F)C1CCNC1.Cl
InChIInChI=1S/C12H14F3N3OS.ClH/c1-18(8-4-6-16-7-8)11(19)9-3-2-5-17-10(9)20-12(13,14)15;/h2-3,5,8,16H,4,6-7H2,1H3;1H
InChIKeyXAMKLQSTCIHXGY-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride

N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 119553397) has the molecular formula C12H15ClF3N3OS and a molecular weight of 341.79 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
PubChem CID119553397
Molecular FormulaC12H15ClF3N3OS
Molecular Weight341.79 g/mol
Exact Mass341.06
IUPAC NameN-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccnc1SC(F)(F)F)C1CCNC1.Cl
InChIInChI=1S/C12H14F3N3OS.ClH/c1-18(8-4-6-16-7-8)11(19)9-3-2-5-17-10(9)20-12(13,14)15;/h2-3,5,8,16H,4,6-7H2,1H3;1H
InChIKeyXAMKLQSTCIHXGY-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride (CID 119553397) is N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride is CN(C(=O)c1cccnc1SC(F)(F)F)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is XAMKLQSTCIHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS.ClH/c1-18(8-4-6-16-7-8)11(19)9-3-2-5-17-10(9)20-12(13,14)15;/h2-3,5,8,16H,4,6-7H2,1H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 341.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119553397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).