3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride

C17H24Cl2N4O — CID 119953108

IUPAC3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)c1ncccc1CNC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-21(2)17-14(9-6-10-19-17)12-20-16(22)11-15(18)13-7-4-3-5-8-13;;/h3-10,15H,11-12,18H2,1-2H3,(H,20,22);2*1H
InChIKeyWNLZIOCVOZYSOA-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.70
Rot. Bonds6

About 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953108) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953108
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Name3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)c1ncccc1CNC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-21(2)17-14(9-6-10-19-17)12-20-16(22)11-15(18)13-7-4-3-5-8-13;;/h3-10,15H,11-12,18H2,1-2H3,(H,20,22);2*1H
InChIKeyWNLZIOCVOZYSOA-UHFFFAOYSA-N
XLogP2.70
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride (CID 119953108) is 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride is CN(C)c1ncccc1CNC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is WNLZIOCVOZYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c1-21(2)17-14(9-6-10-19-17)12-20-16(22)11-15(18)13-7-4-3-5-8-13;;/h3-10,15H,11-12,18H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).