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

C16H15N3OS — CID 41316282

IUPAC3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncccc3c2N)cc1C
InChIInChI=1S/C16H15N3OS/c1-9-5-6-11(8-10(9)2)19-15(20)14-13(17)12-4-3-7-18-16(12)21-14/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyVVXTWCORRNXNRA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds2

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

3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 41316282) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID41316282
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncccc3c2N)cc1C
InChIInChI=1S/C16H15N3OS/c1-9-5-6-11(8-10(9)2)19-15(20)14-13(17)12-4-3-7-18-16(12)21-14/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyVVXTWCORRNXNRA-UHFFFAOYSA-N
XLogP3.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 16762341
3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316370
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 107112759
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4196604
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 41316282) is 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3ncccc3c2N)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VVXTWCORRNXNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-9-5-6-11(8-10(9)2)19-15(20)14-13(17)12-4-3-7-18-16(12)21-14/h3-8H,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.75, 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)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 41316282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).