2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride

C10H17ClN4O3 — CID 21141972

IUPAC2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
SMILESCN(C)CCNC(=O)c1cc([NH+]([O-])O)ccn1.Cl
InChIInChI=1S/C10H16N4O3.ClH/c1-13(2)6-5-12-10(15)9-7-8(14(16)17)3-4-11-9;/h3-4,7,14,16H,5-6H2,1-2H3,(H,12,15);1H
InChIKeyYIZUQVDIPDANIU-UHFFFAOYSA-N
MW276.72 g/mol
LogP-0.80
Rot. Bonds5

About 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride

2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride (PubChem CID 21141972) has the molecular formula C10H17ClN4O3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
PubChem CID21141972
Molecular FormulaC10H17ClN4O3
Molecular Weight276.72 g/mol
Exact Mass276.10
IUPAC Name2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
SMILESCN(C)CCNC(=O)c1cc([NH+]([O-])O)ccn1.Cl
InChIInChI=1S/C10H16N4O3.ClH/c1-13(2)6-5-12-10(15)9-7-8(14(16)17)3-4-11-9;/h3-4,7,14,16H,5-6H2,1-2H3,(H,12,15);1H
InChIKeyYIZUQVDIPDANIU-UHFFFAOYSA-N
XLogP-0.80
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
CID 169024679
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride (CID 21141972) is 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride is CN(C)CCNC(=O)c1cc([NH+]([O-])O)ccn1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride?
The InChIKey is YIZUQVDIPDANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3.ClH/c1-13(2)6-5-12-10(15)9-7-8(14(16)17)3-4-11-9;/h3-4,7,14,16H,5-6H2,1-2H3,(H,12,15);1H.
What are the key properties of 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride?
2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride has a molecular weight of 276.72 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride is sourced from PubChem (CID 21141972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).