3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride

C11H20Cl2N4O — CID 119850314

IUPAC3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESCN(C)c1ccc(CNC(=O)CCN)cn1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-15(2)10-4-3-9(7-13-10)8-14-11(16)5-6-12;;/h3-4,7H,5-6,8,12H2,1-2H3,(H,14,16);2*1H
InChIKeyOYQOJRYLGIMLJR-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride

3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride (PubChem CID 119850314) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
PubChem CID119850314
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESCN(C)c1ccc(CNC(=O)CCN)cn1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-15(2)10-4-3-9(7-13-10)8-14-11(16)5-6-12;;/h3-4,7H,5-6,8,12H2,1-2H3,(H,14,16);2*1H
InChIKeyOYQOJRYLGIMLJR-UHFFFAOYSA-N
XLogP0.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850304
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
2-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55629349
2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 55620966
(2R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 94750528
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 55620860
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride (CID 119850314) is 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride is CN(C)c1ccc(CNC(=O)CCN)cn1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The InChIKey is OYQOJRYLGIMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-15(2)10-4-3-9(7-13-10)8-14-11(16)5-6-12;;/h3-4,7H,5-6,8,12H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119850314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).