2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine

C25H31N5O — CID 78172902

IUPAC2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C1NNNN1
InChIInChI=1S/C25H31N5O/c1-25(2,24-27-29-30-28-24)15-9-10-16-31-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18,24,27-30H,9-10,15-16H2,1-2H3
InChIKeyNXHJNKPYZHRKTA-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.43
Rot. Bonds9

About 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine

2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine (PubChem CID 78172902) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine
PubChem CID78172902
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C1NNNN1
InChIInChI=1S/C25H31N5O/c1-25(2,24-27-29-30-28-24)15-9-10-16-31-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18,24,27-30H,9-10,15-16H2,1-2H3
InChIKeyNXHJNKPYZHRKTA-UHFFFAOYSA-N
XLogP4.43
TPSA70.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[5-(2H-tetrazol-5-yl)pentoxy]pyridine
CID 10452674
2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-diphenyl-pyridine
CID 178581
2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4-phenyl-quinoline
CID 10068808
6-[[6-(4-Fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine
CID 22089163
2,2-Dimethyl-6-[(6-(4-fluorophenyl)-4-phenyl-2-pyridinyl)oxy]-hexanenitrile
CID 23501840
[2-[(4-Tert-butylphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methanamine
CID 58873264
6-[[6-(2-Fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexan-1-amine
CID 69886977
3-(6-ethoxy-5-phenyl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]prop-1-en-2-amine
CID 143602160
(Methylaminohydrazinylidene)-[3-methyl-2-[[6-(3,4,5-trifluorophenyl)-2-pyridinyl]oxymethyl]phenyl]azanium
CID 144739100
2-Ethoxy-4-(4-fluorophenyl)-6-phenylpyridine
CID 154644656
5-[[6-[1-[(1-Amino-2-methylbutyl)amino]-2-methylidene-4-pyridinyl]-5-fluoro-2-pyridinyl]oxy]-3-(fluoromethyl)-2-(4-fluorophenyl)-3-methylpentan-2-ol
CID 176959853
2-Phenyl-6-phenylmethoxypyridine
CID 101897267

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine?
The IUPAC name of 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine (CID 78172902) is 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine?
The canonical SMILES for 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine is CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C1NNNN1.
What is the InChIKey of 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine?
The InChIKey is NXHJNKPYZHRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-25(2,24-27-29-30-28-24)15-9-10-16-31-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18,24,27-30H,9-10,15-16H2,1-2H3.
What are the key properties of 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine?
2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine has a molecular weight of 417.56 g/mol, XLogP of 4.43, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-5-(tetrazolidin-5-yl)hexoxy]-4,6-diphenylpyridine is sourced from PubChem (CID 78172902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).