2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride

C9H15Cl2N3O — CID 67492420

IUPAC2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
SMILESCN(C)C(C(N)=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C9H13N3O.2ClH/c1-12(2)8(9(10)13)7-4-3-5-11-6-7;;/h3-6,8H,1-2H3,(H2,10,13);2*1H
InChIKeyIENBURSIBKTFJM-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.01
Rot. Bonds3

About 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride

2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride (PubChem CID 67492420) has the molecular formula C9H15Cl2N3O and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
PubChem CID67492420
Molecular FormulaC9H15Cl2N3O
Molecular Weight252.15 g/mol
Exact Mass251.06
IUPAC Name2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
SMILESCN(C)C(C(N)=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C9H13N3O.2ClH/c1-12(2)8(9(10)13)7-4-3-5-11-6-7;;/h3-6,8H,1-2H3,(H2,10,13);2*1H
InChIKeyIENBURSIBKTFJM-UHFFFAOYSA-N
XLogP1.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
2-(dimethylamino)-N-[(2-methylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 110753901
2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
CID 110753896
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
methyl (2R)-2-[2,2-difluoroethyl(methyl)amino]-2-pyridin-3-ylacetate
CID 97329606

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride (CID 67492420) is 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride is CN(C)C(C(N)=O)c1cccnc1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride?
The InChIKey is IENBURSIBKTFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2ClH/c1-12(2)8(9(10)13)7-4-3-5-11-6-7;;/h3-6,8H,1-2H3,(H2,10,13);2*1H.
What are the key properties of 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride?
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride has a molecular weight of 252.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 67492420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).