N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide

C23H22N2O2 — CID 100629013

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)19-11-9-16(10-12-19)21(26)17-6-4-8-20(14-17)25-22(27)18-7-5-13-24-15-18/h4-15H,1-3H3,(H,25,27)
InChIKeyIHQKJUISLMRJEO-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.86
Rot. Bonds4

About N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide

N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide (PubChem CID 100629013) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
PubChem CID100629013
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-23(2,3)19-11-9-16(10-12-19)21(26)17-6-4-8-20(14-17)25-22(27)18-7-5-13-24-15-18/h4-15H,1-3H3,(H,25,27)
InChIKeyIHQKJUISLMRJEO-UHFFFAOYSA-N
XLogP4.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617026
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide (CID 100629013) is N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IHQKJUISLMRJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-23(2,3)19-11-9-16(10-12-19)21(26)17-6-4-8-20(14-17)25-22(27)18-7-5-13-24-15-18/h4-15H,1-3H3,(H,25,27).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide?
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 100629013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).