3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C17H17N3OS — CID 171133101

IUPAC3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nccc(C)c3c2N)cc1C
InChIInChI=1S/C17H17N3OS/c1-9-4-5-12(8-11(9)3)20-16(21)15-14(18)13-10(2)6-7-19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21)
InChIKeyJHEQPVPHGLKIOH-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.06
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 171133101) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID171133101
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nccc(C)c3c2N)cc1C
InChIInChI=1S/C17H17N3OS/c1-9-4-5-12(8-11(9)3)20-16(21)15-14(18)13-10(2)6-7-19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21)
InChIKeyJHEQPVPHGLKIOH-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133107
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 106098617
3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 115366285
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 106433622
3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888941
3-amino-N-(3-fluoro-4-methylphenyl)-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 39369026
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 171133101) is 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nccc(C)c3c2N)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JHEQPVPHGLKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-9-4-5-12(8-11(9)3)20-16(21)15-14(18)13-10(2)6-7-19-17(13)22-15/h4-8H,18H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171133101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).