3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride

C16H21Cl2N3O — CID 119953282

IUPAC3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(NC(=O)CC(N)c2ccccc2)c(C)n1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-8-9-15(12(2)18-11)19-16(20)10-14(17)13-6-4-3-5-7-13;;/h3-9,14H,10,17H2,1-2H3,(H,19,20);2*1H
InChIKeyZTISYUJUDACHOC-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride

3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119953282) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
PubChem CID119953282
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(NC(=O)CC(N)c2ccccc2)c(C)n1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-11-8-9-15(12(2)18-11)19-16(20)10-14(17)13-6-4-3-5-7-13;;/h3-9,14H,10,17H2,1-2H3,(H,19,20);2*1H
InChIKeyZTISYUJUDACHOC-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
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3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
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N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
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CID 119950312

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride (CID 119953282) is 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride is Cc1ccc(NC(=O)CC(N)c2ccccc2)c(C)n1.Cl.Cl.
What is the InChIKey of 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is ZTISYUJUDACHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-11-8-9-15(12(2)18-11)19-16(20)10-14(17)13-6-4-3-5-7-13;;/h3-9,14H,10,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride?
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).