2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

C20H15N5O4 — CID 46495533

IUPAC2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15N5O4/c26-19(14-8-10-16(11-9-14)25(28)29)23-18-7-2-1-6-17(18)20(27)24-22-13-15-5-3-4-12-21-15/h1-13H,(H,23,26)(H,24,27)/b22-13+
InChIKeyYZYCFTDYSRCURX-LPYMAVHISA-N
MW389.37 g/mol
LogP3.01
Rot. Bonds6

About 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 46495533) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID46495533
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15N5O4/c26-19(14-8-10-16(11-9-14)25(28)29)23-18-7-2-1-6-17(18)20(27)24-22-13-15-5-3-4-12-21-15/h1-13H,(H,23,26)(H,24,27)/b22-13+
InChIKeyYZYCFTDYSRCURX-LPYMAVHISA-N
XLogP3.01
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
N-[(Z)-(2,4-dinitrophenyl)methylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126004226
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126005035
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
[4-[(Z)-[(2-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 126001905
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126007684
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126002403
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 46495533) is 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is YZYCFTDYSRCURX-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15N5O4/c26-19(14-8-10-16(11-9-14)25(28)29)23-18-7-2-1-6-17(18)20(27)24-22-13-15-5-3-4-12-21-15/h1-13H,(H,23,26)(H,24,27)/b22-13+.
What are the key properties of 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 389.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrobenzoyl)amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 46495533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).