6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide

C23H15N3O2S — CID 86275238

IUPAC6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2ccsc2)c1
InChIInChI=1S/C23H15N3O2S/c24-13-15-4-9-22(19(12-15)17-10-11-29-14-17)28-18-7-5-16(6-8-18)20-2-1-3-21(26-20)23(25)27/h1-12,14H,(H2,25,27)
InChIKeyUYHKRRWJQHPTBK-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.24
Rot. Bonds5

About 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide

6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 86275238) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide
PubChem CID86275238
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2ccsc2)c1
InChIInChI=1S/C23H15N3O2S/c24-13-15-4-9-22(19(12-15)17-10-11-29-14-17)28-18-7-5-16(6-8-18)20-2-1-3-21(26-20)23(25)27/h1-12,14H,(H2,25,27)
InChIKeyUYHKRRWJQHPTBK-UHFFFAOYSA-N
XLogP5.24
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide (CID 86275238) is 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide is N#Cc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2ccsc2)c1.
What is the InChIKey of 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is UYHKRRWJQHPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S/c24-13-15-4-9-22(19(12-15)17-10-11-29-14-17)28-18-7-5-16(6-8-18)20-2-1-3-21(26-20)23(25)27/h1-12,14H,(H2,25,27).
What are the key properties of 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide?
6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyano-2-thiophen-3-ylphenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86275238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).