N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide

C22H25N7O — CID 59943104

IUPACN-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide
SMILESCCN(CC)c1ccc(/N=N/c2nc(C)nc(C)n2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H25N7O/c1-5-29(6-2)18-12-13-19(27-28-22-24-15(3)23-16(4)25-22)20(14-18)26-21(30)17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3,(H,26,30)/b28-27+
InChIKeyWMCFWEUFFSGCBV-BYYHNAKLSA-N
MW403.49 g/mol
LogP5.00
Rot. Bonds7

About N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide

N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide (PubChem CID 59943104) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide
PubChem CID59943104
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide
SMILESCCN(CC)c1ccc(/N=N/c2nc(C)nc(C)n2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H25N7O/c1-5-29(6-2)18-12-13-19(27-28-22-24-15(3)23-16(4)25-22)20(14-18)26-21(30)17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3,(H,26,30)/b28-27+
InChIKeyWMCFWEUFFSGCBV-BYYHNAKLSA-N
XLogP5.00
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(4,6-diphenoxy-1,3,5-triazin-2-yl)diazenyl]-1-N,1-N-diethyl-3-N-(phenoxymethyl)benzene-1,3-diamine
CID 20726419
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
2-[[4-(diethylamino)-2-(phenoxysulfinylamino)phenyl]diazenyl]-4,6-bis[(2,6-dimethylphenyl)sulfanyl]-1,3,5-triazine
CID 59943111
N-[5-(diethylamino)-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]acetamide
CID 3019660
N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
CID 102191514
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
CID 59197134
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
1-[5-(diethylamino)-2-(pyrimidin-2-yldiazenyl)phenyl]-2,2,2-trifluoroethanone
CID 20728771
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide
CID 89099976

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide?
The IUPAC name of N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide (CID 59943104) is N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide.
What is the SMILES notation for N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide?
The canonical SMILES for N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide is CCN(CC)c1ccc(/N=N/c2nc(C)nc(C)n2)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide?
The InChIKey is WMCFWEUFFSGCBV-BYYHNAKLSA-N. The full InChI is InChI=1S/C22H25N7O/c1-5-29(6-2)18-12-13-19(27-28-22-24-15(3)23-16(4)25-22)20(14-18)26-21(30)17-10-8-7-9-11-17/h7-14H,5-6H2,1-4H3,(H,26,30)/b28-27+.
What are the key properties of N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide?
N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide is sourced from PubChem (CID 59943104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).