3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H14F3N3OS — CID 1266728

IUPAC3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H14F3N3OS/c1-23(2)16(24)14-13(21)12-10(17(18,19)20)8-11(22-15(12)25-14)9-6-4-3-5-7-9/h3-8H,21H2,1-2H3
InChIKeyOJBROZABOAZEDF-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.27
Rot. Bonds2

About 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1266728) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1266728
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H14F3N3OS/c1-23(2)16(24)14-13(21)12-10(17(18,19)20)8-11(22-15(12)25-14)9-6-4-3-5-7-9/h3-8H,21H2,1-2H3
InChIKeyOJBROZABOAZEDF-UHFFFAOYSA-N
XLogP4.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-5-ethyl-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 750440
2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1266728) is 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OJBROZABOAZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-23(2)16(24)14-13(21)12-10(17(18,19)20)8-11(22-15(12)25-14)9-6-4-3-5-7-9/h3-8H,21H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1266728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).