3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine

C28H20N2O5 — CID 19422151

IUPAC3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine
SMILESC#CC(Oc1cccc(Oc2cccnc2)c1)OC(C#C)Oc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C28H20N2O5/c1-3-27(33-23-11-5-9-21(17-23)31-25-13-7-15-29-19-25)35-28(4-2)34-24-12-6-10-22(18-24)32-26-14-8-16-30-20-26/h1-2,5-20,27-28H
InChIKeyCQYHVCMFRAJWOP-UHFFFAOYSA-N
MW464.48 g/mol
LogP5.45
Rot. Bonds10

About 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine

3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine (PubChem CID 19422151) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine.

Molecular Properties

Compound Name3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine
PubChem CID19422151
Molecular FormulaC28H20N2O5
Molecular Weight464.48 g/mol
Exact Mass464.14
IUPAC Name3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine
SMILESC#CC(Oc1cccc(Oc2cccnc2)c1)OC(C#C)Oc1cccc(Oc2cccnc2)c1
InChIInChI=1S/C28H20N2O5/c1-3-27(33-23-11-5-9-21(17-23)31-25-13-7-15-29-19-25)35-28(4-2)34-24-12-6-10-22(18-24)32-26-14-8-16-30-20-26/h1-2,5-20,27-28H
InChIKeyCQYHVCMFRAJWOP-UHFFFAOYSA-N
XLogP5.45
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
3-(2-methoxyethoxy)-5-pyridin-3-yloxypyridine
CID 142784185
methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
CID 174658028
1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine
CID 168605479
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
2,3-dipyridin-3-yloxypyrazine
CID 139072759
O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine
CID 93493761
4-pyridin-3-yloxybenzoic acid
CID 22261667

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine?
The IUPAC name of 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine (CID 19422151) is 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine.
What is the SMILES notation for 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine?
The canonical SMILES for 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine is C#CC(Oc1cccc(Oc2cccnc2)c1)OC(C#C)Oc1cccc(Oc2cccnc2)c1.
What is the InChIKey of 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine?
The InChIKey is CQYHVCMFRAJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5/c1-3-27(33-23-11-5-9-21(17-23)31-25-13-7-15-29-19-25)35-28(4-2)34-24-12-6-10-22(18-24)32-26-14-8-16-30-20-26/h1-2,5-20,27-28H.
What are the key properties of 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine?
3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine has a molecular weight of 464.48 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine is sourced from PubChem (CID 19422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).