2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine

C21H25N5O — CID 155352384

IUPAC2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)13-18(12-14)27-20-6-4-5-19(23-20)21-16(3)24-25-26(21)17-7-9-22-10-8-17/h4-6,11-13,17,22H,7-10H2,1-3H3
InChIKeyRSTIJUIBDSTMMW-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.98
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine

2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (PubChem CID 155352384) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
PubChem CID155352384
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)13-18(12-14)27-20-6-4-5-19(23-20)21-16(3)24-25-26(21)17-7-9-22-10-8-17/h4-6,11-13,17,22H,7-10H2,1-3H3
InChIKeyRSTIJUIBDSTMMW-UHFFFAOYSA-N
XLogP3.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (CID 155352384) is 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The InChIKey is RSTIJUIBDSTMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-11-15(2)13-18(12-14)27-20-6-4-5-19(23-20)21-16(3)24-25-26(21)17-7-9-22-10-8-17/h4-6,11-13,17,22H,7-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine has a molecular weight of 363.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is sourced from PubChem (CID 155352384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).