N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride

C11H20Cl2N4O — CID 119850298

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)NCc1ccc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-12-8-11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,12H,7-8H2,1-3H3,(H,14,16);2*1H
InChIKeyCAASOLZWQZFWKQ-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.83
Rot. Bonds5

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride (PubChem CID 119850298) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
PubChem CID119850298
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)NCc1ccc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-12-8-11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,12H,7-8H2,1-3H3,(H,14,16);2*1H
InChIKeyCAASOLZWQZFWKQ-UHFFFAOYSA-N
XLogP0.83
TPSA57.26 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
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-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
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]-2-(3-ethylpiperidin-1-yl)acetamide
CID 154873870
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
2-(methylamino)-N-(pyrimidin-5-ylmethyl)acetamide
CID 134570666

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride (CID 119850298) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride is CNCC(=O)NCc1ccc(N(C)C)nc1.Cl.Cl.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The InChIKey is CAASOLZWQZFWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-12-8-11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,12H,7-8H2,1-3H3,(H,14,16);2*1H.
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).