3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H13F4N3OS — CID 39369026

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1F
InChIInChI=1S/C17H13F4N3OS/c1-7-3-4-9(6-10(7)18)23-15(25)14-13(22)12-8(2)5-11(17(19,20)21)24-16(12)26-14/h3-6H,22H2,1-2H3,(H,23,25)
InChIKeyLOLGWNMCYFSFEG-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.91
Rot. Bonds2

About 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39369026) has the molecular formula C17H13F4N3OS and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID39369026
Molecular FormulaC17H13F4N3OS
Molecular Weight383.37 g/mol
Exact Mass383.07
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1F
InChIInChI=1S/C17H13F4N3OS/c1-7-3-4-9(6-10(7)18)23-15(25)14-13(22)12-8(2)5-11(17(19,20)21)24-16(12)26-14/h3-6H,22H2,1-2H3,(H,23,25)
InChIKeyLOLGWNMCYFSFEG-UHFFFAOYSA-N
XLogP4.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methyl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048219
3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369077
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
3-amino-4-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048493
sodium 3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 112758001
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
N-(3-fluoro-4-methylphenyl)-2-methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 146078610
3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888941
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 99934587
3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19571609
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 39369026) is 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LOLGWNMCYFSFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3OS/c1-7-3-4-9(6-10(7)18)23-15(25)14-13(22)12-8(2)5-11(17(19,20)21)24-16(12)26-14/h3-6H,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 39369026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).