N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide

C19H22N4O3 — CID 51273364

IUPACN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1
InChIInChI=1S/C19H22N4O3/c1-14-13-15(7-8-17(14)22-11-9-21(2)10-12-22)20-19(24)16-5-3-4-6-18(16)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyBJXHIQDMYNAEHG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.91
Rot. Bonds4

About N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide (PubChem CID 51273364) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
PubChem CID51273364
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1
InChIInChI=1S/C19H22N4O3/c1-14-13-15(7-8-17(14)22-11-9-21(2)10-12-22)20-19(24)16-5-3-4-6-18(16)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyBJXHIQDMYNAEHG-UHFFFAOYSA-N
XLogP2.91
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-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-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 17358414
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-nitrobenzamide
CID 7553469
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 134016368
2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535273
2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26726075
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide (CID 51273364) is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide is Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
The InChIKey is BJXHIQDMYNAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-13-15(7-8-17(14)22-11-9-21(2)10-12-22)20-19(24)16-5-3-4-6-18(16)23(25)26/h3-8,13H,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide?
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 51273364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).