3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

C17H14F3N3OS — CID 171133210

IUPAC3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)sc2nc1C
InChIInChI=1S/C17H14F3N3OS/c1-8-7-10-13(21)14(25-16(10)22-9(8)2)15(24)23-12-6-4-3-5-11(12)17(18,19)20/h3-7H,21H2,1-2H3,(H,23,24)
InChIKeyVRCFOIJBVUOIHJ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.77
Rot. Bonds2

About 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 171133210) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID171133210
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)sc2nc1C
InChIInChI=1S/C17H14F3N3OS/c1-8-7-10-13(21)14(25-16(10)22-9(8)2)15(24)23-12-6-4-3-5-11(12)17(18,19)20/h3-7H,21H2,1-2H3,(H,23,24)
InChIKeyVRCFOIJBVUOIHJ-UHFFFAOYSA-N
XLogP4.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155808799
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-4-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048493
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide (CID 171133210) is 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)sc2nc1C.
What is the InChIKey of 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VRCFOIJBVUOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-8-7-10-13(21)14(25-16(10)22-9(8)2)15(24)23-12-6-4-3-5-11(12)17(18,19)20/h3-7H,21H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dimethyl-N-[2-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171133210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).