N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide

C26H19BrFN3O — CID 44723208

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C26H19BrFN3O/c1-17(18-7-11-22(27)12-8-18)30-31-26(32)21-15-24(19-5-3-2-4-6-19)29-25(16-21)20-9-13-23(28)14-10-20/h2-16H,1H3,(H,31,32)/b30-17+
InChIKeyHENSGCNJNLYCAT-OCSSWDANSA-N
MW488.36 g/mol
LogP6.47
Rot. Bonds5

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide (PubChem CID 44723208) has the molecular formula C26H19BrFN3O and a molecular weight of 488.36 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide
PubChem CID44723208
Molecular FormulaC26H19BrFN3O
Molecular Weight488.36 g/mol
Exact Mass487.07
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C26H19BrFN3O/c1-17(18-7-11-22(27)12-8-18)30-31-26(32)21-15-24(19-5-3-2-4-6-19)29-25(16-21)20-9-13-23(28)14-10-20/h2-16H,1H3,(H,31,32)/b30-17+
InChIKeyHENSGCNJNLYCAT-OCSSWDANSA-N
XLogP6.47
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.36
LogP ≤ 56.47
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

3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1184948
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 5343142
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide (CID 44723208) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide?
The InChIKey is HENSGCNJNLYCAT-OCSSWDANSA-N. The full InChI is InChI=1S/C26H19BrFN3O/c1-17(18-7-11-22(27)12-8-18)30-31-26(32)21-15-24(19-5-3-2-4-6-19)29-25(16-21)20-9-13-23(28)14-10-20/h2-16H,1H3,(H,31,32)/b30-17+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide has a molecular weight of 488.36 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide is sourced from PubChem (CID 44723208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).