2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C17H21N3O — CID 108996378

IUPAC2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-20(12-9-15-7-10-18-11-8-15)17(21)14-19-13-16-5-3-2-4-6-16/h2-8,10-11,19H,9,12-14H2,1H3
InChIKeyBGUFXSLFFMDTQP-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.87
Rot. Bonds7

About 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 108996378) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID108996378
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-20(12-9-15-7-10-18-11-8-15)17(21)14-19-13-16-5-3-2-4-6-16/h2-8,10-11,19H,9,12-14H2,1H3
InChIKeyBGUFXSLFFMDTQP-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide 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-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(ethylamino)-N-methyl-N-(2-pyridin-3-ylethyl)acetamide
CID 115158126
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 108996378) is 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is BGUFXSLFFMDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(12-9-15-7-10-18-11-8-15)17(21)14-19-13-16-5-3-2-4-6-16/h2-8,10-11,19H,9,12-14H2,1H3.
What are the key properties of 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 108996378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).