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

C24H31N5O — CID 155352406

IUPAC2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C24H31N5O/c1-4-5-7-19-14-17(2)15-21(16-19)30-23-9-6-8-22(26-23)24-18(3)27-28-29(24)20-10-12-25-13-11-20/h6,8-9,14-16,20,25H,4-5,7,10-13H2,1-3H3
InChIKeyZPTYIXPRQPUDLX-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.02
Rot. Bonds7

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

2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (PubChem CID 155352406) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
PubChem CID155352406
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C24H31N5O/c1-4-5-7-19-14-17(2)15-21(16-19)30-23-9-6-8-22(26-23)24-18(3)27-28-29(24)20-10-12-25-13-11-20/h6,8-9,14-16,20,25H,4-5,7,10-13H2,1-3H3
InChIKeyZPTYIXPRQPUDLX-UHFFFAOYSA-N
XLogP5.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The IUPAC name of 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (CID 155352406) is 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The canonical SMILES for 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is CCCCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The InChIKey is ZPTYIXPRQPUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-4-5-7-19-14-17(2)15-21(16-19)30-23-9-6-8-22(26-23)24-18(3)27-28-29(24)20-10-12-25-13-11-20/h6,8-9,14-16,20,25H,4-5,7,10-13H2,1-3H3.
What are the key properties of 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine has a molecular weight of 405.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is sourced from PubChem (CID 155352406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).