3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

C17H23Cl2N3O — CID 119958567

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCC(C(=O)N(C)Cc1ccccn1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-13(16(18)14-8-4-3-5-9-14)17(21)20(2)12-15-10-6-7-11-19-15;;/h3-11,13,16H,12,18H2,1-2H3;2*1H
InChIKeyOWXGEFLLYNGHAW-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.22
Rot. Bonds5

About 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (PubChem CID 119958567) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
PubChem CID119958567
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCC(C(=O)N(C)Cc1ccccn1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-13(16(18)14-8-4-3-5-9-14)17(21)20(2)12-15-10-6-7-11-19-15;;/h3-11,13,16H,12,18H2,1-2H3;2*1H
InChIKeyOWXGEFLLYNGHAW-UHFFFAOYSA-N
XLogP3.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(3-methylphenyl)methyl]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 119878011
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 80552053
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (CID 119958567) is 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is CC(C(=O)N(C)Cc1ccccn1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The InChIKey is OWXGEFLLYNGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-13(16(18)14-8-4-3-5-9-14)17(21)20(2)12-15-10-6-7-11-19-15;;/h3-11,13,16H,12,18H2,1-2H3;2*1H.
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119958567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).