N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide

C29H29N3O — CID 15410383

IUPACN-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H29N3O/c1-32(2)19-9-18-30-29(33)25-16-14-22(15-17-25)26-20-27(23-10-5-3-6-11-23)31-28(21-26)24-12-7-4-8-13-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,30,33)
InChIKeyGISDTYGJRKRMJJ-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.76
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide

N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide (PubChem CID 15410383) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
PubChem CID15410383
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H29N3O/c1-32(2)19-9-18-30-29(33)25-16-14-22(15-17-25)26-20-27(23-10-5-3-6-11-23)31-28(21-26)24-12-7-4-8-13-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,30,33)
InChIKeyGISDTYGJRKRMJJ-UHFFFAOYSA-N
XLogP5.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(2-amino-8-hydroxyquinolin-6-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 171446242
N-butyl-4-phenylbenzamide
CID 3637649
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 126672927
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide (CID 15410383) is N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide is CN(C)CCCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide?
The InChIKey is GISDTYGJRKRMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-32(2)19-9-18-30-29(33)25-16-14-22(15-17-25)26-20-27(23-10-5-3-6-11-23)31-28(21-26)24-12-7-4-8-13-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,30,33).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide?
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide has a molecular weight of 435.57 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide is sourced from PubChem (CID 15410383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).