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

C24H20N4O3S — CID 11988202

IUPAC3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C24H20N4O3S/c1-3-31-23-17(13-25)18(14-7-5-4-6-8-14)19-20(26)21(32-24(19)28-23)22(29)27-15-9-11-16(30-2)12-10-15/h4-12H,3,26H2,1-2H3,(H,27,29)
InChIKeySNSKKLCBXUODMY-UHFFFAOYSA-N
MW444.52 g/mol
LogP5.08
Rot. Bonds6

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

3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11988202) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11988202
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C24H20N4O3S/c1-3-31-23-17(13-25)18(14-7-5-4-6-8-14)19-20(26)21(32-24(19)28-23)22(29)27-15-9-11-16(30-2)12-10-15/h4-12H,3,26H2,1-2H3,(H,27,29)
InChIKeySNSKKLCBXUODMY-UHFFFAOYSA-N
XLogP5.08
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 11988202) is 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N.
What is the InChIKey of 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SNSKKLCBXUODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-3-31-23-17(13-25)18(14-7-5-4-6-8-14)19-20(26)21(32-24(19)28-23)22(29)27-15-9-11-16(30-2)12-10-15/h4-12H,3,26H2,1-2H3,(H,27,29).
What are the key properties of 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyano-6-ethoxy-N-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11988202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).