4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid

C16H14N4O4 — CID 2850530

IUPAC4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(NCc1ccccn1)C(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N4O4/c21-14(18-10-13-3-1-2-8-17-13)15(22)20-19-9-11-4-6-12(7-5-11)16(23)24/h1-9H,10H2,(H,18,21)(H,20,22)(H,23,24)
InChIKeyUIUYXHNQXAOJIY-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.55
Rot. Bonds5

About 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid

4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 2850530) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID2850530
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(NCc1ccccn1)C(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N4O4/c21-14(18-10-13-3-1-2-8-17-13)15(22)20-19-9-11-4-6-12(7-5-11)16(23)24/h1-9H,10H2,(H,18,21)(H,20,22)(H,23,24)
InChIKeyUIUYXHNQXAOJIY-UHFFFAOYSA-N
XLogP0.55
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid 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

N'-[(2-hydroxyphenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 2248739
4-[[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3387447
N'-[(Z)-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 94832476
4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7034323
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
4-[(E)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 5333573
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid (CID 2850530) is 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid is O=C(NCc1ccccn1)C(=O)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is UIUYXHNQXAOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-14(18-10-13-3-1-2-8-17-13)15(22)20-19-9-11-4-6-12(7-5-11)16(23)24/h1-9H,10H2,(H,18,21)(H,20,22)(H,23,24).
What are the key properties of 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 326.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 2850530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).