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

C15H17ClF3N3OS — CID 119428871

IUPAC3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCNC2)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-8-10-4-5-11(15(16,17)18)21-14(10)23-12(8)13(22)20-9-3-2-6-19-7-9;/h4-5,9,19H,2-3,6-7H2,1H3,(H,20,22);1H
InChIKeyFREFJBRQIGLWMU-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.53
Rot. Bonds2

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

3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 119428871) has the molecular formula C15H17ClF3N3OS and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID119428871
Molecular FormulaC15H17ClF3N3OS
Molecular Weight379.84 g/mol
Exact Mass379.07
IUPAC Name3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCNC2)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-8-10-4-5-11(15(16,17)18)21-14(10)23-12(8)13(22)20-9-3-2-6-19-7-9;/h4-5,9,19H,2-3,6-7H2,1H3,(H,20,22);1H
InChIKeyFREFJBRQIGLWMU-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 120554195
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747
N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 119612256
(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
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55723575
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119575709
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 112833600
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 119428871) is 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCNC2)sc2nc(C(F)(F)F)ccc12.Cl.
What is the InChIKey of 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is FREFJBRQIGLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS.ClH/c1-8-10-4-5-11(15(16,17)18)21-14(10)23-12(8)13(22)20-9-3-2-6-19-7-9;/h4-5,9,19H,2-3,6-7H2,1H3,(H,20,22);1H.
What are the key properties of 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119428871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).