4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide

C25H29N3O — CID 35573650

IUPAC4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C25H29N3O/c1-25(2,3)21-13-11-20(12-14-21)24(29)28(23-8-6-7-17-26-23)18-19-9-15-22(16-10-19)27(4)5/h6-17H,18H2,1-5H3
InChIKeyBTYBJONYHKFGMS-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.29
Rot. Bonds5

About 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide

4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide (PubChem CID 35573650) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
PubChem CID35573650
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C25H29N3O/c1-25(2,3)21-13-11-20(12-14-21)24(29)28(23-8-6-7-17-26-23)18-19-9-15-22(16-10-19)27(4)5/h6-17H,18H2,1-5H3
InChIKeyBTYBJONYHKFGMS-UHFFFAOYSA-N
XLogP5.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide 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-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 35574860
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 139583066
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
CID 35574237
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 35573668
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
N-(4-tert-butylphenyl)-N-methylpyridin-2-amine
CID 91397569

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide (CID 35573650) is 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide is CN(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is BTYBJONYHKFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-25(2,3)21-13-11-20(12-14-21)24(29)28(23-8-6-7-17-26-23)18-19-9-15-22(16-10-19)27(4)5/h6-17H,18H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide?
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 387.53 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35573650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).