4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

C19H14N4O3 — CID 5409143

IUPAC4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O3/c24-19(16-6-8-17(9-7-16)23(25)26)22-21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H,(H,22,24)/b21-18+
InChIKeyQYVALBGCSDBEIP-DYTRJAOYSA-N
MW346.35 g/mol
LogP3.17
Rot. Bonds5

About 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide

4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (PubChem CID 5409143) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
PubChem CID5409143
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O3/c24-19(16-6-8-17(9-7-16)23(25)26)22-21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H,(H,22,24)/b21-18+
InChIKeyQYVALBGCSDBEIP-DYTRJAOYSA-N
XLogP3.17
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
[[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
CID 6221857
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
4-(benzenesulfonamido)-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 86771827
N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
CID 3090062
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N-[[(4-nitrophenyl)-(1,3,5-triazoniatricyclo[3.3.1.13,7]decan-7-yl)methylidene]amino]pyridine-4-carboxamide
CID 6966529

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The IUPAC name of 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide (CID 5409143) is 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
The InChIKey is QYVALBGCSDBEIP-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-19(16-6-8-17(9-7-16)23(25)26)22-21-18(14-4-2-1-3-5-14)15-10-12-20-13-11-15/h1-13H,(H,22,24)/b21-18+.
What are the key properties of 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide?
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide has a molecular weight of 346.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 5409143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).