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

C16H21Cl2N3O — CID 119958250

IUPAC3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)C(CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-19(12-13-6-5-9-18-11-13)16(20)15(10-17)14-7-3-2-4-8-14;;/h2-9,11,15H,10,12,17H2,1H3;2*1H
InChIKeyRJNRUEKOFUICAP-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.63
Rot. Bonds5

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

3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride (PubChem CID 119958250) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
PubChem CID119958250
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)C(CN)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H19N3O.2ClH/c1-19(12-13-6-5-9-18-11-13)16(20)15(10-17)14-7-3-2-4-8-14;;/h2-9,11,15H,10,12,17H2,1H3;2*1H
InChIKeyRJNRUEKOFUICAP-UHFFFAOYSA-N
XLogP2.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 119681798
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
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3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
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(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride (CID 119958250) is 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride is CN(Cc1cccnc1)C(=O)C(CN)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride?
The InChIKey is RJNRUEKOFUICAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c1-19(12-13-6-5-9-18-11-13)16(20)15(10-17)14-7-3-2-4-8-14;;/h2-9,11,15H,10,12,17H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride?
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119958250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).