2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile

C14H9N5O — CID 2800187

IUPAC2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C14H9N5O/c15-6-11(7-16)8-18-12-3-4-14(19-9-12)20-13-2-1-5-17-10-13/h1-5,8-10,18H
InChIKeyVUGIYNICARNGKA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.61
Rot. Bonds4

About 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile

2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile (PubChem CID 2800187) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile
PubChem CID2800187
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C14H9N5O/c15-6-11(7-16)8-18-12-3-4-14(19-9-12)20-13-2-1-5-17-10-13/h1-5,8-10,18H
InChIKeyVUGIYNICARNGKA-UHFFFAOYSA-N
XLogP2.61
TPSA94.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile?
The IUPAC name of 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile (CID 2800187) is 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile is N#CC(C#N)=CNc1ccc(Oc2cccnc2)nc1.
What is the InChIKey of 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile?
The InChIKey is VUGIYNICARNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-6-11(7-16)8-18-12-3-4-14(19-9-12)20-13-2-1-5-17-10-13/h1-5,8-10,18H.
What are the key properties of 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile?
2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile has a molecular weight of 263.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-pyridin-3-yloxy-3-pyridinyl)amino]methylidene]propanedinitrile is sourced from PubChem (CID 2800187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).