4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile

C23H16N4O — CID 59374228

IUPAC4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H16N4O/c24-16-17-6-8-18(9-7-17)21-4-3-15-26-23(21)28-20-12-10-19(11-13-20)27-22-5-1-2-14-25-22/h1-15H,(H,25,27)
InChIKeyPRUBAUPIANPDBG-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.55
Rot. Bonds5

About 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile

4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile (PubChem CID 59374228) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
PubChem CID59374228
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C23H16N4O/c24-16-17-6-8-18(9-7-17)21-4-3-15-26-23(21)28-20-12-10-19(11-13-20)27-22-5-1-2-14-25-22/h1-15H,(H,25,27)
InChIKeyPRUBAUPIANPDBG-UHFFFAOYSA-N
XLogP5.55
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile (CID 59374228) is 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile?
The InChIKey is PRUBAUPIANPDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-16-17-6-8-18(9-7-17)21-4-3-15-26-23(21)28-20-12-10-19(11-13-20)27-22-5-1-2-14-25-22/h1-15H,(H,25,27).
What are the key properties of 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile?
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 59374228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).