3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile

C15H9N3O2S — CID 943614

IUPAC3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N
InChIInChI=1S/C15H9N3O2S/c16-6-13-14(17)9-2-3-10(18-15(9)21-13)8-1-4-11-12(5-8)20-7-19-11/h1-5H,7,17H2
InChIKeyBVRJJZGAGQJFLU-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.15
Rot. Bonds1

About 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 943614) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID943614
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N
InChIInChI=1S/C15H9N3O2S/c16-6-13-14(17)9-2-3-10(18-15(9)21-13)8-1-4-11-12(5-8)20-7-19-11/h1-5H,7,17H2
InChIKeyBVRJJZGAGQJFLU-UHFFFAOYSA-N
XLogP3.15
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole
CID 781196
3-Amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 1005240
3-amino-6-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004017
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
CID 660388
2-[4-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenyl-2,4-pentadienenitrile
CID 1352093
3-[4-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1536758
2-(Allylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)nicotinonitrile
CID 2216825
3-Amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 52945741
4-Amino-6-(1,3-benzodioxol-5-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile
CID 90654623
3-Amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
CID 869172
3-Amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 71718991
(E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
CID 5769291

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile (CID 943614) is 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N.
What is the InChIKey of 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is BVRJJZGAGQJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c16-6-13-14(17)9-2-3-10(18-15(9)21-13)8-1-4-11-12(5-8)20-7-19-11/h1-5H,7,17H2.
What are the key properties of 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 943614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).