2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile

C18H15N3O2S — CID 11988205

IUPAC2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCCOc1nc2sc(C(C)=O)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-3-23-17-12(9-19)13(11-7-5-4-6-8-11)14-15(20)16(10(2)22)24-18(14)21-17/h4-8H,3,20H2,1-2H3
InChIKeyBQKIYNKHLPZQIC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.02
Rot. Bonds4

About 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile

2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 11988205) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
PubChem CID11988205
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
SMILESCCOc1nc2sc(C(C)=O)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N3O2S/c1-3-23-17-12(9-19)13(11-7-5-4-6-8-11)14-15(20)16(10(2)22)24-18(14)21-17/h4-8H,3,20H2,1-2H3
InChIKeyBQKIYNKHLPZQIC-UHFFFAOYSA-N
XLogP4.02
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile (CID 11988205) is 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile is CCOc1nc2sc(C(C)=O)c(N)c2c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is BQKIYNKHLPZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-3-23-17-12(9-19)13(11-7-5-4-6-8-11)14-15(20)16(10(2)22)24-18(14)21-17/h4-8H,3,20H2,1-2H3.
What are the key properties of 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile?
2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 337.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-amino-6-ethoxy-4-phenylthieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 11988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).