2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride

C12H21Cl2N3O — CID 3060143

IUPAC2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)Nc1cc(C)ccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-8-10(3)6-7-13-11;;/h6-8H,4-5,9H2,1-3H3,(H,13,14,16);2*1H
InChIKeyJPLFIJXEWJOOEO-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.51
Rot. Bonds5

About 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride

2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride (PubChem CID 3060143) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride
PubChem CID3060143
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC Name2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)Nc1cc(C)ccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-8-10(3)6-7-13-11;;/h6-8H,4-5,9H2,1-3H3,(H,13,14,16);2*1H
InChIKeyJPLFIJXEWJOOEO-UHFFFAOYSA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride?
The IUPAC name of 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride (CID 3060143) is 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride is CCN(CC)CC(=O)Nc1cc(C)ccn1.Cl.Cl.
What is the InChIKey of 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride?
The InChIKey is JPLFIJXEWJOOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-8-10(3)6-7-13-11;;/h6-8H,4-5,9H2,1-3H3,(H,13,14,16);2*1H.
What are the key properties of 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride?
2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(4-methyl-2-pyridinyl)acetamide;dihydrochloride is sourced from PubChem (CID 3060143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).