N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride

C12H21Cl2N3O — CID 119508405

IUPACN-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccc(C)nc1C.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-13-7-8-14-12(16)11-6-5-9(2)15-10(11)3;;/h5-6,13H,4,7-8H2,1-3H3,(H,14,16);2*1H
InChIKeyFRXTWGADZQSOMD-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride

N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119508405) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
PubChem CID119508405
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC NameN-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccc(C)nc1C.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-4-13-7-8-14-12(16)11-6-5-9(2)15-10(11)3;;/h5-6,13H,4,7-8H2,1-3H3,(H,14,16);2*1H
InChIKeyFRXTWGADZQSOMD-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 114008693
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
CID 119507049
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride (CID 119508405) is N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride is CCNCCNC(=O)c1ccc(C)nc1C.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is FRXTWGADZQSOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-4-13-7-8-14-12(16)11-6-5-9(2)15-10(11)3;;/h5-6,13H,4,7-8H2,1-3H3,(H,14,16);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119508405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).