4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide

C13H19N5O2 — CID 167208165

IUPAC4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
SMILESCC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(N)=O
InChIInChI=1S/C13H19N5O2/c1-10(19)4-6-12(2,8-14)17-18-13(3,9-15)7-5-11(16)20/h4-7H2,1-3H3,(H2,16,20)/b18-17+
InChIKeyNFHUEZXNQKLDHO-ISLYRVAYSA-N
MW277.33 g/mol
LogP1.64
Rot. Bonds8

About 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide

4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide (PubChem CID 167208165) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide.

Molecular Properties

Compound Name4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
PubChem CID167208165
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
SMILESCC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(N)=O
InChIInChI=1S/C13H19N5O2/c1-10(19)4-6-12(2,8-14)17-18-13(3,9-15)7-5-11(16)20/h4-7H2,1-3H3,(H2,16,20)/b18-17+
InChIKeyNFHUEZXNQKLDHO-ISLYRVAYSA-N
XLogP1.64
TPSA132.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid;dihydrochloride
CID 141256752
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
4-oxopentane-1,1,1-tricarbonitrile
CID 139217373
4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
CID 71343257
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
CID 157385511
2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
CID 18913437
11-[4-cyano-4-[[2-cyano-5-oxo-5-[11-(trimethylazaniumyl)undecoxy]pentan-2-yl]diazenyl]pentanoyl]oxyundecyl-trimethylazanium
CID 101449034
S-(10-sulfanyldecyl) 4-cyano-4-[[2-cyano-5-oxo-5-(10-sulfanyldecylsulfanyl)pentan-2-yl]diazenyl]pentanethioate
CID 89251709
4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoic acid
CID 59010813
2-[(2-cyano-4-hydroxybutan-2-yl)diazenyl]-4-hydroxy-2-methylbutanenitrile;2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile
CID 160702229
7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide
CID 146964176
1-ethoxyethyl 4-cyano-4-[[2-cyano-5-[1-[4-[1-[4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethoxy]butoxy]ethoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 87157374

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide?
The IUPAC name of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide (CID 167208165) is 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide.
What is the SMILES notation for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide?
The canonical SMILES for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide is CC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(N)=O.
What is the InChIKey of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide?
The InChIKey is NFHUEZXNQKLDHO-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10(19)4-6-12(2,8-14)17-18-13(3,9-15)7-5-11(16)20/h4-7H2,1-3H3,(H2,16,20)/b18-17+.
What are the key properties of 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide?
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide has a molecular weight of 277.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide is sourced from PubChem (CID 167208165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).