3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide

C22H23N3O — CID 113013026

IUPAC3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nc2)cc1C
InChIInChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)22(26)25-20-10-11-21(24-15-20)23-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyIBTLUZMCLPZZSQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds6

About 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide

3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide (PubChem CID 113013026) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
PubChem CID113013026
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nc2)cc1C
InChIInChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)22(26)25-20-10-11-21(24-15-20)23-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyIBTLUZMCLPZZSQ-UHFFFAOYSA-N
XLogP4.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-[6-(2-phenylethylamino)-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

N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113042585
3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
CID 113027886

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide (CID 113013026) is 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)nc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide?
The InChIKey is IBTLUZMCLPZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)22(26)25-20-10-11-21(24-15-20)23-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide?
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113013026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).