N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide

C24H27N5O — CID 144977605

IUPACN'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1c(-c2ccc(C)cc2)cc(-c2ccc(CCCCC)cc2)[nH]c1=O
InChIInChI=1S/C24H27N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)27-21)23(25)28-29-26/h7-15H,3-6H2,1-2H3,(H,27,30)(H3,25,26,28)
InChIKeyQTSMMPXEXJSFQB-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.40
Rot. Bonds8

About N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide

N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide (PubChem CID 144977605) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide
PubChem CID144977605
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1c(-c2ccc(C)cc2)cc(-c2ccc(CCCCC)cc2)[nH]c1=O
InChIInChI=1S/C24H27N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)27-21)23(25)28-29-26/h7-15H,3-6H2,1-2H3,(H,27,30)(H3,25,26,28)
InChIKeyQTSMMPXEXJSFQB-UHFFFAOYSA-N
XLogP5.40
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]-(2-methylphenyl)methanone
CID 22648572
1-methyl-4-octylbenzene
CID 11052746
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169406597
1-butyl-4-methylbenzene;formic acid
CID 177221373
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
8-amino-5-hydroxy-4-imino-6-(4-pentylphenyl)naphthalen-1-one
CID 135709754
[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]-naphthalen-1-ylmethanone
CID 22648584
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide
CID 129064652
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide (CID 144977605) is N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide is [H]/N=N/N=C(N)c1c(-c2ccc(C)cc2)cc(-c2ccc(CCCCC)cc2)[nH]c1=O.
What is the InChIKey of N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide?
The InChIKey is QTSMMPXEXJSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)27-21)23(25)28-29-26/h7-15H,3-6H2,1-2H3,(H,27,30)(H3,25,26,28).
What are the key properties of N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide?
N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide has a molecular weight of 401.51 g/mol, XLogP of 5.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-4-(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 144977605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).