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

C17H21ClF3N3OS — CID 119612256

IUPACN-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2CN)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C17H20F3N3OS.ClH/c1-9-11-6-7-13(17(18,19)20)23-16(11)25-14(9)15(24)22-12-5-3-2-4-10(12)8-21;/h6-7,10,12H,2-5,8,21H2,1H3,(H,22,24);1H
InChIKeyCJTNAXZXFHLUGK-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.29
Rot. Bonds3

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

N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 119612256) has the molecular formula C17H21ClF3N3OS and a molecular weight of 407.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID119612256
Molecular FormulaC17H21ClF3N3OS
Molecular Weight407.89 g/mol
Exact Mass407.10
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2CN)sc2nc(C(F)(F)F)ccc12.Cl
InChIInChI=1S/C17H20F3N3OS.ClH/c1-9-11-6-7-13(17(18,19)20)23-16(11)25-14(9)15(24)22-12-5-3-2-4-10(12)8-21;/h6-7,10,12H,2-5,8,21H2,1H3,(H,22,24);1H
InChIKeyCJTNAXZXFHLUGK-UHFFFAOYSA-N
XLogP4.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119575709
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747
3-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 120554195
3-methyl-N-piperidin-3-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 119428871
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
2-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 120516988
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 119612256) is N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCCC2CN)sc2nc(C(F)(F)F)ccc12.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is CJTNAXZXFHLUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS.ClH/c1-9-11-6-7-13(17(18,19)20)23-16(11)25-14(9)15(24)22-12-5-3-2-4-10(12)8-21;/h6-7,10,12H,2-5,8,21H2,1H3,(H,22,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 407.89 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119612256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).