5-(5-cyano-2-nitroanilino)pentanamide

C12H14N4O3 — CID 106239115

IUPAC5-(5-cyano-2-nitroanilino)pentanamide
SMILESN#Cc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H14N4O3/c13-8-9-4-5-11(16(18)19)10(7-9)15-6-2-1-3-12(14)17/h4-5,7,15H,1-3,6H2,(H2,14,17)
InChIKeyJDZDZSYZAHVUEP-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.53
Rot. Bonds7

About 5-(5-cyano-2-nitroanilino)pentanamide

5-(5-cyano-2-nitroanilino)pentanamide (PubChem CID 106239115) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(5-cyano-2-nitroanilino)pentanamide.

Molecular Properties

Compound Name5-(5-cyano-2-nitroanilino)pentanamide
PubChem CID106239115
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-(5-cyano-2-nitroanilino)pentanamide
SMILESN#Cc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H14N4O3/c13-8-9-4-5-11(16(18)19)10(7-9)15-6-2-1-3-12(14)17/h4-5,7,15H,1-3,6H2,(H2,14,17)
InChIKeyJDZDZSYZAHVUEP-UHFFFAOYSA-N
XLogP1.53
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(5-cyano-2-nitroanilino)pentanamide 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

4-(5-cyano-2-nitroanilino)butanamide
CID 104713484
4-(5-cyano-2-nitroanilino)butanoic acid
CID 113444348
3-(hex-5-ynylamino)-4-nitrobenzonitrile
CID 113462827
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
4-nitro-3-(propylamino)benzonitrile
CID 115763494
3-[2-(4-aminophenyl)ethylamino]-4-nitrobenzonitrile
CID 104713885
3-[(2-amino-2-methylpropyl)amino]-4-nitrobenzonitrile
CID 104713971
3-(5-cyano-2-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 104713839
4-nitro-3-(2-phenylethylamino)benzonitrile
CID 22125499
3-(2-methylsulfinylethylamino)-4-nitrobenzonitrile
CID 113462765
2-(5-cyano-2-nitroanilino)-2-methylpropanamide
CID 104713533
ethyl 2-(5-cyano-2-nitroanilino)acetate
CID 104713478

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-nitroanilino)pentanamide?
The IUPAC name of 5-(5-cyano-2-nitroanilino)pentanamide (CID 106239115) is 5-(5-cyano-2-nitroanilino)pentanamide.
What is the SMILES notation for 5-(5-cyano-2-nitroanilino)pentanamide?
The canonical SMILES for 5-(5-cyano-2-nitroanilino)pentanamide is N#Cc1ccc([N+](=O)[O-])c(NCCCCC(N)=O)c1.
What is the InChIKey of 5-(5-cyano-2-nitroanilino)pentanamide?
The InChIKey is JDZDZSYZAHVUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-8-9-4-5-11(16(18)19)10(7-9)15-6-2-1-3-12(14)17/h4-5,7,15H,1-3,6H2,(H2,14,17).
What are the key properties of 5-(5-cyano-2-nitroanilino)pentanamide?
5-(5-cyano-2-nitroanilino)pentanamide has a molecular weight of 262.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-nitroanilino)pentanamide is sourced from PubChem (CID 106239115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).