N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide

C27H23N3O — CID 44721589

IUPACN-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H23N3O/c1-19-8-12-22(13-9-19)25-16-24(17-26(29-25)23-14-10-20(2)11-15-23)27(31)30-28-18-21-6-4-3-5-7-21/h3-18H,1-2H3,(H,30,31)/b28-18+
InChIKeyTVILOUIQHMIDFM-MTDXEUNCSA-N
MW405.50 g/mol
LogP5.80
Rot. Bonds5

About N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide

N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide (PubChem CID 44721589) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
PubChem CID44721589
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC NameN-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H23N3O/c1-19-8-12-22(13-9-19)25-16-24(17-26(29-25)23-14-10-20(2)11-15-23)27(31)30-28-18-21-6-4-3-5-7-21/h3-18H,1-2H3,(H,30,31)/b28-18+
InChIKeyTVILOUIQHMIDFM-MTDXEUNCSA-N
XLogP5.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
CID 44725052
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 136861796
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-(4-methylphenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
CID 7933727
N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
N-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 870115
4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide (CID 44721589) is N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is TVILOUIQHMIDFM-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H23N3O/c1-19-8-12-22(13-9-19)25-16-24(17-26(29-25)23-14-10-20(2)11-15-23)27(31)30-28-18-21-6-4-3-5-7-21/h3-18H,1-2H3,(H,30,31)/b28-18+.
What are the key properties of N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide?
N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2,6-bis(4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 44721589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).