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

C14H19N3O2S — CID 106149666

IUPAC3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1sc2cccnc2c1N
InChIInChI=1S/C14H19N3O2S/c1-14(2,5-7-18)8-17-13(19)12-10(15)11-9(20-12)4-3-6-16-11/h3-4,6,18H,5,7-8,15H2,1-2H3,(H,17,19)
InChIKeyYVAFTBNAQAOHHT-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.02
Rot. Bonds5

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

3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 106149666) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID106149666
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1sc2cccnc2c1N
InChIInChI=1S/C14H19N3O2S/c1-14(2,5-7-18)8-17-13(19)12-10(15)11-9(20-12)4-3-6-16-11/h3-4,6,18H,5,7-8,15H2,1-2H3,(H,17,19)
InChIKeyYVAFTBNAQAOHHT-UHFFFAOYSA-N
XLogP2.02
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1-benzothiophene-2-carboxamide
CID 106149667
3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide
CID 107590363
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 107494921
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
CID 107531684
3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 115366285
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115366289
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408
3-amino-N-(2-ethoxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 114944563

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide (CID 106149666) is 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide is CC(C)(CCO)CNC(=O)c1sc2cccnc2c1N.
What is the InChIKey of 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is YVAFTBNAQAOHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,5-7-18)8-17-13(19)12-10(15)11-9(20-12)4-3-6-16-11/h3-4,6,18H,5,7-8,15H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide?
3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 106149666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).