3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride

C16H19ClF3N3OS — CID 120554195

IUPAC3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNCC2C)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C16H18F3N3OS.ClH/c1-8-7-20-6-5-11(8)21-14(23)13-9(2)10-3-4-12(16(17,18)19)22-15(10)24-13;/h3-4,8,11,20H,5-7H2,1-2H3,(H,21,23);1H
InChIKeyXPWNHSMFJHNXNO-UHFFFAOYSA-N
MW393.86 g/mol
LogP3.77
Rot. Bonds2

About 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride

3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 120554195) has the molecular formula C16H19ClF3N3OS and a molecular weight of 393.86 g/mol. Its IUPAC name is 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID120554195
Molecular FormulaC16H19ClF3N3OS
Molecular Weight393.86 g/mol
Exact Mass393.09
IUPAC Name3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNCC2C)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C16H18F3N3OS.ClH/c1-8-7-20-6-5-11(8)21-14(23)13-9(2)10-3-4-12(16(17,18)19)22-15(10)24-13;/h3-4,8,11,20H,5-7H2,1-2H3,(H,21,23);1H
InChIKeyXPWNHSMFJHNXNO-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 119428871
2-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120557628
N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 119612256
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119575709
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 120554195) is 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCNCC2C)sc2nc(C(F)(F)F)ccc12.Cl.
What is the InChIKey of 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is XPWNHSMFJHNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS.ClH/c1-8-7-20-6-5-11(8)21-14(23)13-9(2)10-3-4-12(16(17,18)19)22-15(10)24-13;/h3-4,8,11,20H,5-7H2,1-2H3,(H,21,23);1H.
What are the key properties of 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 393.86 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120554195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).