1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile

C22H21N5O — CID 46830902

IUPAC1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C22H21N5O/c23-15-17-5-4-14-27(16-17)20-6-3-13-25-22(20)28-19-10-8-18(9-11-19)26-21-7-1-2-12-24-21/h1-3,6-13,17H,4-5,14,16H2,(H,24,26)
InChIKeyVFEYWZZOCPDQAO-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile

1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile (PubChem CID 46830902) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile
PubChem CID46830902
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C22H21N5O/c23-15-17-5-4-14-27(16-17)20-6-3-13-25-22(20)28-19-10-8-18(9-11-19)26-21-7-1-2-12-24-21/h1-3,6-13,17H,4-5,14,16H2,(H,24,26)
InChIKeyVFEYWZZOCPDQAO-UHFFFAOYSA-N
XLogP4.75
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile (CID 46830902) is 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile is N#CC1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile?
The InChIKey is VFEYWZZOCPDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-15-17-5-4-14-27(16-17)20-6-3-13-25-22(20)28-19-10-8-18(9-11-19)26-21-7-1-2-12-24-21/h1-3,6-13,17H,4-5,14,16H2,(H,24,26).
What are the key properties of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile?
1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-3-carbonitrile is sourced from PubChem (CID 46830902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).