4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C27H17FN4O2 — CID 66799713

IUPAC4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESN#Cc1cccc2c1ccn2-c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C27H17FN4O2/c28-19-6-10-22(11-7-19)34-21-8-4-17(5-9-21)24-14-20(15-25(31-24)27(30)33)32-13-12-23-18(16-29)2-1-3-26(23)32/h1-15H,(H2,30,33)
InChIKeyMCWMUAVYVHSZLR-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.59
Rot. Bonds5

About 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 66799713) has the molecular formula C27H17FN4O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID66799713
Molecular FormulaC27H17FN4O2
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESN#Cc1cccc2c1ccn2-c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C27H17FN4O2/c28-19-6-10-22(11-7-19)34-21-8-4-17(5-9-21)24-14-20(15-25(31-24)27(30)33)32-13-12-23-18(16-29)2-1-3-26(23)32/h1-15H,(H2,30,33)
InChIKeyMCWMUAVYVHSZLR-UHFFFAOYSA-N
XLogP5.59
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 66799713) is 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is N#Cc1cccc2c1ccn2-c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is MCWMUAVYVHSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4O2/c28-19-6-10-22(11-7-19)34-21-8-4-17(5-9-21)24-14-20(15-25(31-24)27(30)33)32-13-12-23-18(16-29)2-1-3-26(23)32/h1-15H,(H2,30,33).
What are the key properties of 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanoindol-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).