2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine

C27H24N2O — CID 66863853

IUPAC2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(C3(c4ccc(-c5cccnc5)cc4)CCC3)cc2)nc1
InChIInChI=1S/C27H24N2O/c1-2-18-29-25(6-1)20-30-26-13-11-24(12-14-26)27(15-4-16-27)23-9-7-21(8-10-23)22-5-3-17-28-19-22/h1-3,5-14,17-19H,4,15-16,20H2
InChIKeyYFTRUTJKPOTXDW-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.19
Rot. Bonds6

About 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine

2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine (PubChem CID 66863853) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
PubChem CID66863853
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(C3(c4ccc(-c5cccnc5)cc4)CCC3)cc2)nc1
InChIInChI=1S/C27H24N2O/c1-2-18-29-25(6-1)20-30-26-13-11-24(12-14-26)27(15-4-16-27)23-9-7-21(8-10-23)22-5-3-17-28-19-22/h1-3,5-14,17-19H,4,15-16,20H2
InChIKeyYFTRUTJKPOTXDW-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-6-[4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]phenyl]pyridazine
CID 66864843
4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
CID 66864364
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
4-[3,3-difluoro-1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzaldehyde
CID 88984289
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
2-(4-pyridin-3-ylphenoxy)acetaldehyde
CID 90125264
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
3-(4-octoxyphenyl)pyridine
CID 90176946
3-[4-(1-methylcyclopropyl)phenyl]pyridine
CID 90269531
2-[[4-[1-(1-methylcyclobutyl)-1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]phenoxy]methyl]pyridine
CID 11510469
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine (CID 66863853) is 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine is c1ccc(COc2ccc(C3(c4ccc(-c5cccnc5)cc4)CCC3)cc2)nc1.
What is the InChIKey of 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine?
The InChIKey is YFTRUTJKPOTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-2-18-29-25(6-1)20-30-26-13-11-24(12-14-26)27(15-4-16-27)23-9-7-21(8-10-23)22-5-3-17-28-19-22/h1-3,5-14,17-19H,4,15-16,20H2.
What are the key properties of 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine?
2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine has a molecular weight of 392.50 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(4-pyridin-3-ylphenyl)cyclobutyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 66863853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).