2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine

C22H27N5O — CID 155352297

IUPAC2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C22H27N5O/c1-4-17-12-15(2)13-19(14-17)28-21-7-5-6-20(24-21)22-16(3)25-26-27(22)18-8-10-23-11-9-18/h5-7,12-14,18,23H,4,8-11H2,1-3H3
InChIKeyMBRUUNAJGFSWLN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine

2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (PubChem CID 155352297) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
PubChem CID155352297
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C22H27N5O/c1-4-17-12-15(2)13-19(14-17)28-21-7-5-6-20(24-21)22-16(3)25-26-27(22)18-8-10-23-11-9-18/h5-7,12-14,18,23H,4,8-11H2,1-3H3
InChIKeyMBRUUNAJGFSWLN-UHFFFAOYSA-N
XLogP4.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The IUPAC name of 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (CID 155352297) is 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The canonical SMILES for 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is CCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The InChIKey is MBRUUNAJGFSWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-17-12-15(2)13-19(14-17)28-21-7-5-6-20(24-21)22-16(3)25-26-27(22)18-8-10-23-11-9-18/h5-7,12-14,18,23H,4,8-11H2,1-3H3.
What are the key properties of 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine has a molecular weight of 377.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is sourced from PubChem (CID 155352297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).