3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C15H13N3O2S — CID 41316370

IUPAC3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2sc3ncccc3c2N)c1
InChIInChI=1S/C15H13N3O2S/c1-8-4-5-11(19)10(7-8)18-14(20)13-12(16)9-3-2-6-17-15(9)21-13/h2-7,19H,16H2,1H3,(H,18,20)
InChIKeyRQAKJVKWBRUHAH-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.14
Rot. Bonds2

About 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 41316370) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID41316370
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2sc3ncccc3c2N)c1
InChIInChI=1S/C15H13N3O2S/c1-8-4-5-11(19)10(7-8)18-14(20)13-12(16)9-3-2-6-17-15(9)21-13/h2-7,19H,16H2,1H3,(H,18,20)
InChIKeyRQAKJVKWBRUHAH-UHFFFAOYSA-N
XLogP3.14
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194626
3-amino-N-(3-chloro-4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 16762341
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
4-methyl-2-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)phenol
CID 110435132
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
CID 54690353

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 41316370) is 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(O)c(NC(=O)c2sc3ncccc3c2N)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RQAKJVKWBRUHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-4-5-11(19)10(7-8)18-14(20)13-12(16)9-3-2-6-17-15(9)21-13/h2-7,19H,16H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 41316370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).