N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine

C18H14N2O — CID 23903931

IUPACN-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc(Oc2ccccc2)cc1)\c1cccnc1
InChIInChI=1S/C18H14N2O/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-14-15-5-4-12-19-13-15/h1-14H/b20-14+
InChIKeyYPFBGZVEGQUMKH-XSFVSMFZSA-N
MW274.32 g/mol
LogP4.62
Rot. Bonds4

About N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine

N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine (PubChem CID 23903931) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
PubChem CID23903931
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC NameN-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc(Oc2ccccc2)cc1)\c1cccnc1
InChIInChI=1S/C18H14N2O/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-14-15-5-4-12-19-13-15/h1-14H/b20-14+
InChIKeyYPFBGZVEGQUMKH-XSFVSMFZSA-N
XLogP4.62
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine (CID 23903931) is N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine is C(=N/c1ccc(Oc2ccccc2)cc1)\c1cccnc1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine?
The InChIKey is YPFBGZVEGQUMKH-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-17(7-3-1)21-18-10-8-16(9-11-18)20-14-15-5-4-12-19-13-15/h1-14H/b20-14+.
What are the key properties of N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine?
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine has a molecular weight of 274.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 23903931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).