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

C22H15N5O — CID 46834652

IUPAC2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1
InChIInChI=1S/C22H15N5O/c23-15-16-7-13-25-21(14-16)27-18-3-5-19(6-4-18)28-22-20(2-1-10-26-22)17-8-11-24-12-9-17/h1-14H,(H,25,27)
InChIKeyFODQRRJCTHATNT-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.95
Rot. Bonds5

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

2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile (PubChem CID 46834652) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile
PubChem CID46834652
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1
InChIInChI=1S/C22H15N5O/c23-15-16-7-13-25-21(14-16)27-18-3-5-19(6-4-18)28-22-20(2-1-10-26-22)17-8-11-24-12-9-17/h1-14H,(H,25,27)
InChIKeyFODQRRJCTHATNT-UHFFFAOYSA-N
XLogP4.95
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile (CID 46834652) is 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1.
What is the InChIKey of 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile?
The InChIKey is FODQRRJCTHATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c23-15-16-7-13-25-21(14-16)27-18-3-5-19(6-4-18)28-22-20(2-1-10-26-22)17-8-11-24-12-9-17/h1-14H,(H,25,27).
What are the key properties of 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile?
2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile has a molecular weight of 365.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 46834652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).