5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

C10H15BrClN3O2 — CID 119508914

IUPAC5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c[nH]c(=O)c(Br)c1.Cl
InChIInChI=1S/C10H14BrN3O2.ClH/c1-2-12-3-4-13-9(15)7-5-8(11)10(16)14-6-7;/h5-6,12H,2-4H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyVWCIDWIWEQXVIZ-UHFFFAOYSA-N
MW324.61 g/mol
LogP0.90
Rot. Bonds5

About 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119508914) has the molecular formula C10H15BrClN3O2 and a molecular weight of 324.61 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119508914
Molecular FormulaC10H15BrClN3O2
Molecular Weight324.61 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c[nH]c(=O)c(Br)c1.Cl
InChIInChI=1S/C10H14BrN3O2.ClH/c1-2-12-3-4-13-9(15)7-5-8(11)10(16)14-6-7;/h5-6,12H,2-4H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyVWCIDWIWEQXVIZ-UHFFFAOYSA-N
XLogP0.90
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120654785
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
5-bromo-6-oxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119537569
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71873278
ethyl (3S)-4-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-3-hydroxy-3-methylbutanoate
CID 97352165
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 119187408
(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 103790965
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544269
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119508914) is 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is CCNCCNC(=O)c1c[nH]c(=O)c(Br)c1.Cl.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is VWCIDWIWEQXVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2.ClH/c1-2-12-3-4-13-9(15)7-5-8(11)10(16)14-6-7;/h5-6,12H,2-4H2,1H3,(H,13,15)(H,14,16);1H.
What are the key properties of 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 324.61 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119508914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).