6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile

C15H11N3OS — CID 143009100

IUPAC6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile
SMILESCn1c(Nc2ccccc2)cc(=O)c2cc(C#N)sc21
InChIInChI=1S/C15H11N3OS/c1-18-14(17-10-5-3-2-4-6-10)8-13(19)12-7-11(9-16)20-15(12)18/h2-8,17H,1H3
InChIKeyCPSOKQFTQIDFCO-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.22
Rot. Bonds2

About 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile

6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 143009100) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile
PubChem CID143009100
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile
SMILESCn1c(Nc2ccccc2)cc(=O)c2cc(C#N)sc21
InChIInChI=1S/C15H11N3OS/c1-18-14(17-10-5-3-2-4-6-10)8-13(19)12-7-11(9-16)20-15(12)18/h2-8,17H,1H3
InChIKeyCPSOKQFTQIDFCO-UHFFFAOYSA-N
XLogP3.22
TPSA57.82 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile (CID 143009100) is 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile is Cn1c(Nc2ccccc2)cc(=O)c2cc(C#N)sc21.
What is the InChIKey of 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is CPSOKQFTQIDFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-18-14(17-10-5-3-2-4-6-10)8-13(19)12-7-11(9-16)20-15(12)18/h2-8,17H,1H3.
What are the key properties of 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile?
6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-7-methyl-4-oxothieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 143009100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).