5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile

C22H15N5O — CID 59374327

IUPAC5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H15N5O/c23-13-16-12-17(15-24-14-16)20-4-3-11-26-22(20)28-19-8-6-18(7-9-19)27-21-5-1-2-10-25-21/h1-12,14-15H,(H,25,27)
InChIKeyAIWDORFNMVGMJD-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.95
Rot. Bonds5

About 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile

5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 59374327) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID59374327
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1
InChIInChI=1S/C22H15N5O/c23-13-16-12-17(15-24-14-16)20-4-3-11-26-22(20)28-19-8-6-18(7-9-19)27-21-5-1-2-10-25-21/h1-12,14-15H,(H,25,27)
InChIKeyAIWDORFNMVGMJD-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 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile (CID 59374327) is 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1.
What is the InChIKey of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is AIWDORFNMVGMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c23-13-16-12-17(15-24-14-16)20-4-3-11-26-22(20)28-19-8-6-18(7-9-19)27-21-5-1-2-10-25-21/h1-12,14-15H,(H,25,27).
What are the key properties of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile?
5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-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 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 59374327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).