N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride

C13H21ClN4O4 — CID 119668173

IUPACN-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl
InChIInChI=1S/C13H20N4O4.ClH/c1-2-3-4-10(7-14)15-12(18)9-16-8-11(17(20)21)5-6-13(16)19;/h5-6,8,10H,2-4,7,9,14H2,1H3,(H,15,18);1H
InChIKeyNDSGGYBTQLTZLU-UHFFFAOYSA-N
MW332.79 g/mol
LogP0.81
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride (PubChem CID 119668173) has the molecular formula C13H21ClN4O4 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
PubChem CID119668173
Molecular FormulaC13H21ClN4O4
Molecular Weight332.79 g/mol
Exact Mass332.13
IUPAC NameN-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl
InChIInChI=1S/C13H20N4O4.ClH/c1-2-3-4-10(7-14)15-12(18)9-16-8-11(17(20)21)5-6-13(16)19;/h5-6,8,10H,2-4,7,9,14H2,1H3,(H,15,18);1H
InChIKeyNDSGGYBTQLTZLU-UHFFFAOYSA-N
XLogP0.81
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(1-aminohexan-2-yl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 119665506
N-(1-aminohexan-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 80696485
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119584638
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(1-aminohexan-2-yl)-2-methyl-4-nitrobenzamide;hydrochloride
CID 119667141
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide;hydrochloride
CID 119666015
2-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]pentanoic acid
CID 119191860

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride (CID 119668173) is N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride is CCCCC(CN)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
The InChIKey is NDSGGYBTQLTZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4.ClH/c1-2-3-4-10(7-14)15-12(18)9-16-8-11(17(20)21)5-6-13(16)19;/h5-6,8,10H,2-4,7,9,14H2,1H3,(H,15,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 119668173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).