3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide

C28H26N2O — CID 14570090

IUPAC3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C28H26N2O/c31-28(30-19-8-7-10-22-11-9-18-29-21-22)25-16-17-26(23-12-3-1-4-13-23)27(20-25)24-14-5-2-6-15-24/h1-6,9,11-18,20-21H,7-8,10,19H2,(H,30,31)
InChIKeyZQTHDQHYTXCPOD-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.17
Rot. Bonds8

About 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide

3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570090) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570090
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C28H26N2O/c31-28(30-19-8-7-10-22-11-9-18-29-21-22)25-16-17-26(23-12-3-1-4-13-23)27(20-25)24-14-5-2-6-15-24/h1-6,9,11-18,20-21H,7-8,10,19H2,(H,30,31)
InChIKeyZQTHDQHYTXCPOD-UHFFFAOYSA-N
XLogP6.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570090) is 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide is O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is ZQTHDQHYTXCPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c31-28(30-19-8-7-10-22-11-9-18-29-21-22)25-16-17-26(23-12-3-1-4-13-23)27(20-25)24-14-5-2-6-15-24/h1-6,9,11-18,20-21H,7-8,10,19H2,(H,30,31).
What are the key properties of 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide?
3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).