N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide

C26H20N6O2 — CID 46202828

IUPACN-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(C(=N/NC(=O)c1ccncc1)/c1ccccc1)\c1ccccc1)c1ccncc1
InChIInChI=1S/C26H20N6O2/c33-25(21-11-15-27-16-12-21)31-29-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)30-32-26(34)22-13-17-28-18-14-22/h1-18H,(H,31,33)(H,32,34)/b29-23+,30-24+
InChIKeyMOFODFMUDKJYCC-HCTXVGCHSA-N
MW448.49 g/mol
LogP3.44
Rot. Bonds7

About N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide

N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide (PubChem CID 46202828) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
PubChem CID46202828
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC NameN-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(C(=N/NC(=O)c1ccncc1)/c1ccccc1)\c1ccccc1)c1ccncc1
InChIInChI=1S/C26H20N6O2/c33-25(21-11-15-27-16-12-21)31-29-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)30-32-26(34)22-13-17-28-18-14-22/h1-18H,(H,31,33)(H,32,34)/b29-23+,30-24+
InChIKeyMOFODFMUDKJYCC-HCTXVGCHSA-N
XLogP3.44
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 86771827
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4129362
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide (CID 46202828) is N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide is O=C(N/N=C(C(=N/NC(=O)c1ccncc1)/c1ccccc1)\c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide?
The InChIKey is MOFODFMUDKJYCC-HCTXVGCHSA-N. The full InChI is InChI=1S/C26H20N6O2/c33-25(21-11-15-27-16-12-21)31-29-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)30-32-26(34)22-13-17-28-18-14-22/h1-18H,(H,31,33)(H,32,34)/b29-23+,30-24+.
What are the key properties of N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide?
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 46202828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).