4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C21H13N3O2S — CID 58622652

IUPAC4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1cccc(-c2ccc(Oc3cncc4sc(C(N)=O)cc34)cc2)c1
InChIInChI=1S/C21H13N3O2S/c22-10-13-2-1-3-15(8-13)14-4-6-16(7-5-14)26-18-11-24-12-20-17(18)9-19(27-20)21(23)25/h1-9,11-12H,(H2,23,25)
InChIKeyYYGYQGYBGZQSQO-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.73
Rot. Bonds4

About 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 58622652) has the molecular formula C21H13N3O2S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID58622652
Molecular FormulaC21H13N3O2S
Molecular Weight371.42 g/mol
Exact Mass371.07
IUPAC Name4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESN#Cc1cccc(-c2ccc(Oc3cncc4sc(C(N)=O)cc34)cc2)c1
InChIInChI=1S/C21H13N3O2S/c22-10-13-2-1-3-15(8-13)14-4-6-16(7-5-14)26-18-11-24-12-20-17(18)9-19(27-20)21(23)25/h1-9,11-12H,(H2,23,25)
InChIKeyYYGYQGYBGZQSQO-UHFFFAOYSA-N
XLogP4.73
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 58622652) is 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is N#Cc1cccc(-c2ccc(Oc3cncc4sc(C(N)=O)cc34)cc2)c1.
What is the InChIKey of 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YYGYQGYBGZQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2S/c22-10-13-2-1-3-15(8-13)14-4-6-16(7-5-14)26-18-11-24-12-20-17(18)9-19(27-20)21(23)25/h1-9,11-12H,(H2,23,25).
What are the key properties of 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyanophenyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 58622652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).