3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile

C15H11N5O2 — CID 3232859

IUPAC3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile
SMILESN#CCCn1c(=O)cnc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C15H11N5O2/c16-7-4-8-20-13(21)10-17-12-9-18-15(19-14(12)20)22-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,8H2
InChIKeyZZHMRFHEKUXLHS-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.89
Rot. Bonds4

About 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile

3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile (PubChem CID 3232859) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile.

Molecular Properties

Compound Name3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile
PubChem CID3232859
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile
SMILESN#CCCn1c(=O)cnc2cnc(Oc3ccccc3)nc21
InChIInChI=1S/C15H11N5O2/c16-7-4-8-20-13(21)10-17-12-9-18-15(19-14(12)20)22-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,8H2
InChIKeyZZHMRFHEKUXLHS-UHFFFAOYSA-N
XLogP1.89
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile?
The IUPAC name of 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile (CID 3232859) is 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile.
What is the SMILES notation for 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile?
The canonical SMILES for 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile is N#CCCn1c(=O)cnc2cnc(Oc3ccccc3)nc21.
What is the InChIKey of 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile?
The InChIKey is ZZHMRFHEKUXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-7-4-8-20-13(21)10-17-12-9-18-15(19-14(12)20)22-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,8H2.
What are the key properties of 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile?
3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile has a molecular weight of 293.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-2-phenoxypteridin-8-yl)propanenitrile is sourced from PubChem (CID 3232859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).