3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile

C15H11N3OS — CID 845467

IUPAC3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3c(N)c(C#N)sc3n2)cc1
InChIInChI=1S/C15H11N3OS/c1-19-10-4-2-9(3-5-10)12-7-6-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3
InChIKeyDEOMHFJKTCVIHU-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.43
Rot. Bonds2

About 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 845467) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID845467
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3c(N)c(C#N)sc3n2)cc1
InChIInChI=1S/C15H11N3OS/c1-19-10-4-2-9(3-5-10)12-7-6-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3
InChIKeyDEOMHFJKTCVIHU-UHFFFAOYSA-N
XLogP3.43
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 845467) is 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is COc1ccc(-c2ccc3c(N)c(C#N)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is DEOMHFJKTCVIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-19-10-4-2-9(3-5-10)12-7-6-11-14(17)13(8-16)20-15(11)18-12/h2-7H,17H2,1H3.
What are the key properties of 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 845467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).