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

C23H26N8O — CID 155527058

IUPACN-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide
SMILESO=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-n1ccnn1
InChIInChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32)
InChIKeyRKIUCEIIPSZOJO-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.30
Rot. Bonds11

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

N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide (PubChem CID 155527058) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide
PubChem CID155527058
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide
SMILESO=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-n1ccnn1
InChIInChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32)
InChIKeyRKIUCEIIPSZOJO-UHFFFAOYSA-N
XLogP3.30
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide?
The IUPAC name of N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide (CID 155527058) is N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide?
The canonical SMILES for N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide is O=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-n1ccnn1.
What is the InChIKey of N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide?
The InChIKey is RKIUCEIIPSZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32).
What are the key properties of N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide?
N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide has a molecular weight of 430.52 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]-2-(triazol-1-yl)benzamide is sourced from PubChem (CID 155527058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).