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

C23H29N5O — CID 155352248

IUPAC2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCc1cc(CC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C23H29N5O/c1-4-17-13-18(5-2)15-20(14-17)29-22-8-6-7-21(25-22)23-16(3)26-27-28(23)19-9-11-24-12-10-19/h6-8,13-15,19,24H,4-5,9-12H2,1-3H3
InChIKeyRMFRNIIUKYUDSD-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.49
Rot. Bonds6

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

2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (PubChem CID 155352248) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
PubChem CID155352248
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
SMILESCCc1cc(CC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C23H29N5O/c1-4-17-13-18(5-2)15-20(14-17)29-22-8-6-7-21(25-22)23-16(3)26-27-28(23)19-9-11-24-12-10-19/h6-8,13-15,19,24H,4-5,9-12H2,1-3H3
InChIKeyRMFRNIIUKYUDSD-UHFFFAOYSA-N
XLogP4.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The IUPAC name of 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine (CID 155352248) is 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The canonical SMILES for 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is CCc1cc(CC)cc(Oc2cccc(-c3c(C)nnn3C3CCNCC3)n2)c1.
What is the InChIKey of 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
The InChIKey is RMFRNIIUKYUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-4-17-13-18(5-2)15-20(14-17)29-22-8-6-7-21(25-22)23-16(3)26-27-28(23)19-9-11-24-12-10-19/h6-8,13-15,19,24H,4-5,9-12H2,1-3H3.
What are the key properties of 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine?
2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine has a molecular weight of 391.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine is sourced from PubChem (CID 155352248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).