N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine

C25H25N7O2 — CID 3036564

IUPACN'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine
SMILES[N-]=[N+]=Nc1ccc(NCCCCCCNc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C25H25N7O2/c26-31-30-18-13-14-23(24(17-18)32(33)34)27-15-7-1-2-8-16-28-25-19-9-3-5-11-21(19)29-22-12-6-4-10-20(22)25/h3-6,9-14,17,27H,1-2,7-8,15-16H2,(H,28,29)
InChIKeyQYJSHCAKGJCFOK-UHFFFAOYSA-N
MW455.52 g/mol
LogP7.32
Rot. Bonds11

About N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine

N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine (PubChem CID 3036564) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine
PubChem CID3036564
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine
SMILES[N-]=[N+]=Nc1ccc(NCCCCCCNc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C25H25N7O2/c26-31-30-18-13-14-23(24(17-18)32(33)34)27-15-7-1-2-8-16-28-25-19-9-3-5-11-21(19)29-22-12-6-4-10-20(22)25/h3-6,9-14,17,27H,1-2,7-8,15-16H2,(H,28,29)
InChIKeyQYJSHCAKGJCFOK-UHFFFAOYSA-N
XLogP7.32
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine 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-[2-(2-aminoethoxy)ethyl]-4-azido-2-nitroaniline
CID 20752290
N-[4-(acridin-9-ylamino)butyl]-N-[3-(acridin-9-ylamino)propyl]-4-azidobenzamide
CID 3036556
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 23582363
6-(4-azido-2-nitroanilino)-N-(7,18-dicyclopentyl-5-tricyclo[11.9.0.02,12]docosanyl)hexanamide
CID 54326596
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
N-[2-(2-aminoethylsulfanylsulfonyl)ethyl]-4-azido-2-nitroaniline
CID 118467419
3-[(4-azido-2-nitroanilino)methyl]benzaldehyde
CID 176786733
2-(4-azido-2-nitroanilino)ethyl N-(2-oxoethyl)carbamate
CID 171595365
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
1-[2-[2-[2-(4-azido-2-nitroanilino)ethyl]pyrimidin-4-yl]ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 175895779

Frequently Asked Questions

What is the IUPAC name of N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine?
The IUPAC name of N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine (CID 3036564) is N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine.
What is the SMILES notation for N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine?
The canonical SMILES for N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine is [N-]=[N+]=Nc1ccc(NCCCCCCNc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine?
The InChIKey is QYJSHCAKGJCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c26-31-30-18-13-14-23(24(17-18)32(33)34)27-15-7-1-2-8-16-28-25-19-9-3-5-11-21(19)29-22-12-6-4-10-20(22)25/h3-6,9-14,17,27H,1-2,7-8,15-16H2,(H,28,29).
What are the key properties of N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine?
N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine has a molecular weight of 455.52 g/mol, XLogP of 7.32, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acridin-9-yl-N-(4-azido-2-nitrophenyl)hexane-1,6-diamine is sourced from PubChem (CID 3036564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).