2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide

C26H27N5O — CID 86305871

IUPAC2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
SMILESO=C(NCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H27N5O/c32-26(24-15-7-6-14-23(24)21-11-4-3-5-12-21)28-17-8-1-2-9-18-31-20-25(29-30-31)22-13-10-16-27-19-22/h3-7,10-16,19-20H,1-2,8-9,17-18H2,(H,28,32)
InChIKeyFLRZIDSSPJEAHZ-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.00
Rot. Bonds10

About 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide

2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide (PubChem CID 86305871) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
PubChem CID86305871
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
SMILESO=C(NCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C26H27N5O/c32-26(24-15-7-6-14-23(24)21-11-4-3-5-12-21)28-17-8-1-2-9-18-31-20-25(29-30-31)22-13-10-16-27-19-22/h3-7,10-16,19-20H,1-2,8-9,17-18H2,(H,28,32)
InChIKeyFLRZIDSSPJEAHZ-UHFFFAOYSA-N
XLogP5.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide?
The IUPAC name of 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide (CID 86305871) is 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide?
The canonical SMILES for 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide is O=C(NCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide?
The InChIKey is FLRZIDSSPJEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(24-15-7-6-14-23(24)21-11-4-3-5-12-21)28-17-8-1-2-9-18-31-20-25(29-30-31)22-13-10-16-27-19-22/h3-7,10-16,19-20H,1-2,8-9,17-18H2,(H,28,32).
What are the key properties of 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide?
2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide has a molecular weight of 425.54 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide is sourced from PubChem (CID 86305871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).