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

C23H16Cl2F3N3OS — CID 19571609

IUPAC3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nc3sc(C(=O)Nc4c(Cl)cccc4Cl)c(N)c23)cc1C
InChIInChI=1S/C23H16Cl2F3N3OS/c1-10-6-7-12(8-11(10)2)13-9-16(23(26,27)28)30-22-17(13)18(29)20(33-22)21(32)31-19-14(24)4-3-5-15(19)25/h3-9H,29H2,1-2H3,(H,31,32)
InChIKeyAYEYVIYGLKSGRZ-UHFFFAOYSA-N
MW510.37 g/mol
LogP7.74
Rot. Bonds3

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

3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19571609) has the molecular formula C23H16Cl2F3N3OS and a molecular weight of 510.37 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19571609
Molecular FormulaC23H16Cl2F3N3OS
Molecular Weight510.37 g/mol
Exact Mass509.03
IUPAC Name3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nc3sc(C(=O)Nc4c(Cl)cccc4Cl)c(N)c23)cc1C
InChIInChI=1S/C23H16Cl2F3N3OS/c1-10-6-7-12(8-11(10)2)13-9-16(23(26,27)28)30-22-17(13)18(29)20(33-22)21(32)31-19-14(24)4-3-5-15(19)25/h3-9H,29H2,1-2H3,(H,31,32)
InChIKeyAYEYVIYGLKSGRZ-UHFFFAOYSA-N
XLogP7.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.37
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4775990
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369026
3-amino-N-(5-methyl-2-pyridinyl)-4-thiophen-2-yl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1247368
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N-(2,5-difluorophenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369077
3-amino-4-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048493
3-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19459378
3-amino-6-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 5016303
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
3-amino-4-methyl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19571609) is 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)nc3sc(C(=O)Nc4c(Cl)cccc4Cl)c(N)c23)cc1C.
What is the InChIKey of 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AYEYVIYGLKSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3OS/c1-10-6-7-12(8-11(10)2)13-9-16(23(26,27)28)30-22-17(13)18(29)20(33-22)21(32)31-19-14(24)4-3-5-15(19)25/h3-9H,29H2,1-2H3,(H,31,32).
What are the key properties of 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 510.37 g/mol, XLogP of 7.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dichlorophenyl)-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19571609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).