N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride

C13H21ClN4O4 — CID 119643273

IUPACN-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl
InChIInChI=1S/C13H20N4O4.ClH/c1-3-13(14,4-2)9-15-11(18)8-16-7-10(17(20)21)5-6-12(16)19;/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,18);1H
InChIKeyUPXSDTRKDRSCHH-UHFFFAOYSA-N
MW332.79 g/mol
LogP0.81
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride (PubChem CID 119643273) has the molecular formula C13H21ClN4O4 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
PubChem CID119643273
Molecular FormulaC13H21ClN4O4
Molecular Weight332.79 g/mol
Exact Mass332.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl
InChIInChI=1S/C13H20N4O4.ClH/c1-3-13(14,4-2)9-15-11(18)8-16-7-10(17(20)21)5-6-12(16)19;/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,18);1H
InChIKeyUPXSDTRKDRSCHH-UHFFFAOYSA-N
XLogP0.81
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-(2-amino-2-ethylbutyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 119641118
N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119668173
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 119252743
2-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]pentanoic acid
CID 119191860
N-(2-amino-2-ethylbutyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119642145

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride (CID 119643273) is N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride is CCC(N)(CC)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The InChIKey is UPXSDTRKDRSCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4.ClH/c1-3-13(14,4-2)9-15-11(18)8-16-7-10(17(20)21)5-6-12(16)19;/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 119643273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).