N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride

C11H16ClN3O4 — CID 119573183

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-11(6-12,7-2-3-7)13-10(15)8-4-5-9(18-8)14(16)17;/h4-5,7H,2-3,6,12H2,1H3,(H,13,15);1H
InChIKeyMLUJARFTVZIYRW-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.47
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride (PubChem CID 119573183) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
PubChem CID119573183
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1.Cl
InChIInChI=1S/C11H15N3O4.ClH/c1-11(6-12,7-2-3-7)13-10(15)8-4-5-9(18-8)14(16)17;/h4-5,7H,2-3,6,12H2,1H3,(H,13,15);1H
InChIKeyMLUJARFTVZIYRW-UHFFFAOYSA-N
XLogP1.47
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;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

N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 119575653
N-(1-chloro-2-methylpropan-2-yl)-5-nitrofuran-2-carboxamide
CID 114295430
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119572789
2-methyl-2-[(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61261680
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119572208
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485746
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293
tert-butyl (2R)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate
CID 81003533
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
CID 119572628
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119574500

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride (CID 119573183) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride is CC(CN)(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The InChIKey is MLUJARFTVZIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.ClH/c1-11(6-12,7-2-3-7)13-10(15)8-4-5-9(18-8)14(16)17;/h4-5,7H,2-3,6,12H2,1H3,(H,13,15);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119573183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).