2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride

C16H21Cl2N3O — CID 120597643

IUPAC2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
SMILESCN(Cc1ccncc1)C(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-16(17,14-6-4-3-5-7-14)15(20)19(2)12-13-8-10-18-11-9-13;;/h3-11H,12,17H2,1-2H3;2*1H
InChIKeyYOVTVGRKOILWJO-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride

2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride (PubChem CID 120597643) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
PubChem CID120597643
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
SMILESCN(Cc1ccncc1)C(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-16(17,14-6-4-3-5-7-14)15(20)19(2)12-13-8-10-18-11-9-13;;/h3-11H,12,17H2,1-2H3;2*1H
InChIKeyYOVTVGRKOILWJO-UHFFFAOYSA-N
XLogP2.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride 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

2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348
2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride (CID 120597643) is 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride is CN(Cc1ccncc1)C(=O)C(C)(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride?
The InChIKey is YOVTVGRKOILWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-16(17,14-6-4-3-5-7-14)15(20)19(2)12-13-8-10-18-11-9-13;;/h3-11H,12,17H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride?
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 120597643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).