N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide

C14H20N4O3 — CID 63655560

IUPACN-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCN(CC1CCCC1)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-17(9-10-4-2-3-5-10)14(19)12-8-11(16-15)6-7-13(12)18(20)21/h6-8,10,16H,2-5,9,15H2,1H3
InChIKeyQOMUULFCEICGLN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.14
Rot. Bonds5

About N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide

N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide (PubChem CID 63655560) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
PubChem CID63655560
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCN(CC1CCCC1)C(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c1-17(9-10-4-2-3-5-10)14(19)12-8-11(16-15)6-7-13(12)18(20)21/h6-8,10,16H,2-5,9,15H2,1H3
InChIKeyQOMUULFCEICGLN-UHFFFAOYSA-N
XLogP2.14
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide 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-(cyclopropylmethyl)-N-methyl-2-nitro-5-(propylamino)benzamide
CID 62180251
N-cyclopentyl-N-ethyl-5-hydrazinyl-2-nitrobenzamide
CID 62242500
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
5-hydrazinyl-2-nitro-N-(oxan-2-ylmethyl)benzamide
CID 62237352

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The IUPAC name of N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide (CID 63655560) is N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide is CN(CC1CCCC1)C(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide?
The InChIKey is QOMUULFCEICGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(9-10-4-2-3-5-10)14(19)12-8-11(16-15)6-7-13(12)18(20)21/h6-8,10,16H,2-5,9,15H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide?
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 63655560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).