6-amino-N-(4-cyano-2-nitrophenyl)hexanamide

C13H16N4O3 — CID 78965691

IUPAC6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
SMILESN#Cc1ccc(NC(=O)CCCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O3/c14-7-3-1-2-4-13(18)16-11-6-5-10(9-15)8-12(11)17(19)20/h5-6,8H,1-4,7,14H2,(H,16,18)
InChIKeyULHSVTDWGCULOQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.92
Rot. Bonds7

About 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide

6-amino-N-(4-cyano-2-nitrophenyl)hexanamide (PubChem CID 78965691) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
PubChem CID78965691
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
SMILESN#Cc1ccc(NC(=O)CCCCCN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O3/c14-7-3-1-2-4-13(18)16-11-6-5-10(9-15)8-12(11)17(19)20/h5-6,8H,1-4,7,14H2,(H,16,18)
InChIKeyULHSVTDWGCULOQ-UHFFFAOYSA-N
XLogP1.92
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.92
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'}

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Related Compounds

7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
[4-(6-aminohexanoylamino)-3-nitrophenyl]boronic acid
CID 22178836
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
3-amino-N-(4-cyano-2-nitrophenyl)-2-methoxypropanamide
CID 106112938
N-(4-cyano-2-nitrophenyl)-2-piperazin-1-ylacetamide
CID 78965169
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
3-(4-cyano-2-nitrophenyl)-1-ethyl-1-methylurea
CID 116656212
2-amino-N-(4-cyano-2-nitrophenyl)pentanamide
CID 78965671
(2R)-2-amino-N-(4-cyano-2-nitrophenyl)-4-methylpentanamide
CID 104903546
2-cyano-N-(4-cyano-2-nitrophenyl)propanamide
CID 107856935

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide?
The IUPAC name of 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide (CID 78965691) is 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide?
The canonical SMILES for 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide is N#Cc1ccc(NC(=O)CCCCCN)c([N+](=O)[O-])c1.
What is the InChIKey of 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide?
The InChIKey is ULHSVTDWGCULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-7-3-1-2-4-13(18)16-11-6-5-10(9-15)8-12(11)17(19)20/h5-6,8H,1-4,7,14H2,(H,16,18).
What are the key properties of 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide?
6-amino-N-(4-cyano-2-nitrophenyl)hexanamide has a molecular weight of 276.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-cyano-2-nitrophenyl)hexanamide is sourced from PubChem (CID 78965691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).