2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide

C26H28N6O — CID 86305867

IUPAC2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide
SMILESO=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1cccnc1
InChIInChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33)
InChIKeyUIYYIDXXCWHXEC-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.78
Rot. Bonds11

About 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide

2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide (PubChem CID 86305867) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide
PubChem CID86305867
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide
SMILESO=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1cccnc1
InChIInChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33)
InChIKeyUIYYIDXXCWHXEC-UHFFFAOYSA-N
XLogP4.78
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide?
The IUPAC name of 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide (CID 86305867) is 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide?
The canonical SMILES for 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide is O=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide?
The InChIKey is UIYYIDXXCWHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33).
What are the key properties of 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide?
2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide is sourced from PubChem (CID 86305867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).