N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide

C19H18N6O6 — CID 5380788

IUPACN-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-1-6-16(10-14)24(28)29)8-3-9-19(27)23-21-13-15-5-2-7-17(11-15)25(30)31/h1-2,4-7,10-13H,3,8-9H2,(H,22,26)(H,23,27)/b20-12-,21-13?
InChIKeySQNZMWWARSPCIZ-ZEUDRYFUSA-N
MW426.39 g/mol
LogP2.27
Rot. Bonds10

About N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide

N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide (PubChem CID 5380788) has the molecular formula C19H18N6O6 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
PubChem CID5380788
Molecular FormulaC19H18N6O6
Molecular Weight426.39 g/mol
Exact Mass426.13
IUPAC NameN-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-1-6-16(10-14)24(28)29)8-3-9-19(27)23-21-13-15-5-2-7-17(11-15)25(30)31/h1-2,4-7,10-13H,3,8-9H2,(H,22,26)(H,23,27)/b20-12-,21-13?
InChIKeySQNZMWWARSPCIZ-ZEUDRYFUSA-N
XLogP2.27
TPSA169.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide 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-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
3-(2-hydroxyphenyl)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 171131742
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3948081
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide (CID 5380788) is N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide?
The InChIKey is SQNZMWWARSPCIZ-ZEUDRYFUSA-N. The full InChI is InChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-1-6-16(10-14)24(28)29)8-3-9-19(27)23-21-13-15-5-2-7-17(11-15)25(30)31/h1-2,4-7,10-13H,3,8-9H2,(H,22,26)(H,23,27)/b20-12-,21-13?.
What are the key properties of N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide?
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide has a molecular weight of 426.39 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 5380788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).