3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C23H17ClN4O2S — CID 25107522

IUPAC3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H17ClN4O2S/c1-2-30-22-16(12-25)17(13-6-4-3-5-7-13)18-19(26)20(31-23(18)28-22)21(29)27-15-10-8-14(24)9-11-15/h3-11H,2,26H2,1H3,(H,27,29)
InChIKeyVEIOQAABHPOPQX-UHFFFAOYSA-N
MW448.94 g/mol
LogP5.72
Rot. Bonds5

About 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25107522) has the molecular formula C23H17ClN4O2S and a molecular weight of 448.94 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID25107522
Molecular FormulaC23H17ClN4O2S
Molecular Weight448.94 g/mol
Exact Mass448.08
IUPAC Name3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H17ClN4O2S/c1-2-30-22-16(12-25)17(13-6-4-3-5-7-13)18-19(26)20(31-23(18)28-22)21(29)27-15-10-8-14(24)9-11-15/h3-11H,2,26H2,1H3,(H,27,29)
InChIKeyVEIOQAABHPOPQX-UHFFFAOYSA-N
XLogP5.72
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.94
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 25107522) is 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCOc1nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c(-c2ccccc2)c1C#N.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VEIOQAABHPOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2S/c1-2-30-22-16(12-25)17(13-6-4-3-5-7-13)18-19(26)20(31-23(18)28-22)21(29)27-15-10-8-14(24)9-11-15/h3-11H,2,26H2,1H3,(H,27,29).
What are the key properties of 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 448.94 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-5-cyano-6-ethoxy-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).