[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate

C20H14N4O5 — CID 2326727

IUPAC[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O5/c25-19(15-3-1-5-17(11-15)24(27)28)23-22-12-14-6-8-18(9-7-14)29-20(26)16-4-2-10-21-13-16/h1-13H,(H,23,25)
InChIKeyUKVIDVPJTUNFDY-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.97
Rot. Bonds6

About [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate

[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate (PubChem CID 2326727) has the molecular formula C20H14N4O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
PubChem CID2326727
Molecular FormulaC20H14N4O5
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O5/c25-19(15-3-1-5-17(11-15)24(27)28)23-22-12-14-6-8-18(9-7-14)29-20(26)16-4-2-10-21-13-16/h1-13H,(H,23,25)
InChIKeyUKVIDVPJTUNFDY-UHFFFAOYSA-N
XLogP2.97
TPSA123.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6011138
(3-nitrophenyl) pyridine-3-carboxylate;hydrochloride
CID 158035461
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 94844387
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1206119
[4-[[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 3791966
methyl 2-[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3728315
[4-[[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 3868279
[4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 6872848
3-nitro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7676203
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-nitrobenzamide
CID 6865590

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate (CID 2326727) is [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is O=C(NN=Cc1ccc(OC(=O)c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate?
The InChIKey is UKVIDVPJTUNFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O5/c25-19(15-3-1-5-17(11-15)24(27)28)23-22-12-14-6-8-18(9-7-14)29-20(26)16-4-2-10-21-13-16/h1-13H,(H,23,25).
What are the key properties of [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate?
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate has a molecular weight of 390.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 2326727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).