3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C21H22FN3O — CID 175701820

IUPAC3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccn2)n1
InChIInChI=1S/C21H22FN3O/c1-25(2)12-5-13-26-21-15-17(16-7-9-18(22)10-8-16)14-20(24-21)19-6-3-4-11-23-19/h3-4,6-11,14-15H,5,12-13H2,1-2H3
InChIKeySLZGJEJFXXLFQR-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.28
Rot. Bonds7

About 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 175701820) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID175701820
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccn2)n1
InChIInChI=1S/C21H22FN3O/c1-25(2)12-5-13-26-21-15-17(16-7-9-18(22)10-8-16)14-20(24-21)19-6-3-4-11-23-19/h3-4,6-11,14-15H,5,12-13H2,1-2H3
InChIKeySLZGJEJFXXLFQR-UHFFFAOYSA-N
XLogP4.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 175701820) is 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccn2)n1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is SLZGJEJFXXLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-25(2)12-5-13-26-21-15-17(16-7-9-18(22)10-8-16)14-20(24-21)19-6-3-4-11-23-19/h3-4,6-11,14-15H,5,12-13H2,1-2H3.
What are the key properties of 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 351.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 175701820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).