N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide

C26H20N2O3 — CID 89266732

IUPACN-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O3/c1-2-26(29)28-20-10-8-19(9-11-20)24-18-27-17-16-25(24)31-23-14-12-22(13-15-23)30-21-6-4-3-5-7-21/h2-18H,1H2,(H,28,29)
InChIKeyCSUNWVHCRRKFIW-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.46
Rot. Bonds7

About N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide

N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide (PubChem CID 89266732) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
PubChem CID89266732
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C26H20N2O3/c1-2-26(29)28-20-10-8-19(9-11-20)24-18-27-17-16-25(24)31-23-14-12-22(13-15-23)30-21-6-4-3-5-7-21/h2-18H,1H2,(H,28,29)
InChIKeyCSUNWVHCRRKFIW-UHFFFAOYSA-N
XLogP6.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
(E)-N-[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]but-2-enamide
CID 71092778
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
2-cyano-N-[[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]prop-2-enamide
CID 90226018
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]but-2-enamide
CID 71092945
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
CID 139520074
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300
[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
CID 175171245

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide (CID 89266732) is N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide?
The InChIKey is CSUNWVHCRRKFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-2-26(29)28-20-10-8-19(9-11-20)24-18-27-17-16-25(24)31-23-14-12-22(13-15-23)30-21-6-4-3-5-7-21/h2-18H,1H2,(H,28,29).
What are the key properties of N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide?
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide has a molecular weight of 408.46 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide is sourced from PubChem (CID 89266732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).