6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile

C22H20N4O2 — CID 59374126

IUPAC6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)nc1
InChIInChI=1S/C22H20N4O2/c23-14-16-3-8-21(25-15-16)26-18-4-6-19(7-5-18)28-22-20(2-1-11-24-22)17-9-12-27-13-10-17/h1-8,11,15,17H,9-10,12-13H2,(H,25,26)
InChIKeyMODNBKRMYUCIRR-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.78
Rot. Bonds5

About 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile

6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile (PubChem CID 59374126) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile
PubChem CID59374126
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)nc1
InChIInChI=1S/C22H20N4O2/c23-14-16-3-8-21(25-15-16)26-18-4-6-19(7-5-18)28-22-20(2-1-11-24-22)17-9-12-27-13-10-17/h1-8,11,15,17H,9-10,12-13H2,(H,25,26)
InChIKeyMODNBKRMYUCIRR-UHFFFAOYSA-N
XLogP4.78
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile (CID 59374126) is 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile is N#Cc1ccc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)nc1.
What is the InChIKey of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile?
The InChIKey is MODNBKRMYUCIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-14-16-3-8-21(25-15-16)26-18-4-6-19(7-5-18)28-22-20(2-1-11-24-22)17-9-12-27-13-10-17/h1-8,11,15,17H,9-10,12-13H2,(H,25,26).
What are the key properties of 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile?
6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 59374126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).