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

C22H21N5O — CID 46830901

IUPAC1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H21N5O/c23-16-17-10-14-27(15-11-17)20-4-3-13-25-22(20)28-19-8-6-18(7-9-19)26-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-15H2,(H,24,26)
InChIKeyCDROPJRUCHWGIO-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.75
Rot. Bonds5

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

1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile (PubChem CID 46830901) 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-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile
PubChem CID46830901
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H21N5O/c23-16-17-10-14-27(15-11-17)20-4-3-13-25-22(20)28-19-8-6-18(7-9-19)26-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-15H2,(H,24,26)
InChIKeyCDROPJRUCHWGIO-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-4-carbonitrile?
The IUPAC name of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile (CID 46830901) is 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile is N#CC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile?
The InChIKey is CDROPJRUCHWGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-16-17-10-14-27(15-11-17)20-4-3-13-25-22(20)28-19-8-6-18(7-9-19)26-21-5-1-2-12-24-21/h1-9,12-13,17H,10-11,14-15H2,(H,24,26).
What are the key properties of 1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-carbonitrile?
1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-4-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-4-carbonitrile is sourced from PubChem (CID 46830901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).