N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide

C25H28N2O — CID 138636702

IUPACN-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
SMILESCCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3cnccc3C)c2)cc1
InChIInChI=1S/C25H28N2O/c1-6-18-7-9-19(10-8-18)20-13-21(23-16-26-12-11-17(23)2)15-22(14-20)24(28)27-25(3,4)5/h7-16H,6H2,1-5H3,(H,27,28)
InChIKeyJJWBHLOJABQZAC-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.81
Rot. Bonds4

About N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide

N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide (PubChem CID 138636702) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
PubChem CID138636702
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
SMILESCCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3cnccc3C)c2)cc1
InChIInChI=1S/C25H28N2O/c1-6-18-7-9-19(10-8-18)20-13-21(23-16-26-12-11-17(23)2)15-22(14-20)24(28)27-25(3,4)5/h7-16H,6H2,1-5H3,(H,27,28)
InChIKeyJJWBHLOJABQZAC-UHFFFAOYSA-N
XLogP5.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide 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

3-(4-ethylphenyl)-4-methylpyridine
CID 121385790
N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
CID 126572802
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146371044
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
CID 126572774
N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
CID 134439911
N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130344579
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
N-[(4-ethylphenyl)methyl]-4-methylpyridin-3-amine
CID 63329527
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146370928

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide (CID 138636702) is N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide is CCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3cnccc3C)c2)cc1.
What is the InChIKey of N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is JJWBHLOJABQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-6-18-7-9-19(10-8-18)20-13-21(23-16-26-12-11-17(23)2)15-22(14-20)24(28)27-25(3,4)5/h7-16H,6H2,1-5H3,(H,27,28).
What are the key properties of N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide?
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 372.51 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 138636702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).