[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate

C18H18N4O5 — CID 24818260

IUPAC[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)CNC(=O)c2ccncc2)ccc1OC(C)=O
InChIInChI=1S/C18H18N4O5/c1-12(23)27-15-4-3-13(9-16(15)26-2)10-21-22-17(24)11-20-18(25)14-5-7-19-8-6-14/h3-10H,11H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyYKOAHXXIORAJHK-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.90
Rot. Bonds7

About [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate

[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 24818260) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID24818260
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)CNC(=O)c2ccncc2)ccc1OC(C)=O
InChIInChI=1S/C18H18N4O5/c1-12(23)27-15-4-3-13(9-16(15)26-2)10-21-22-17(24)11-20-18(25)14-5-7-19-8-6-14/h3-10H,11H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyYKOAHXXIORAJHK-UHFFFAOYSA-N
XLogP0.90
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate 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-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
CID 6106614
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3503807
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 3738344
[4-[(Z)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6036190
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 6249023
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
CID 5402661
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate (CID 24818260) is [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate is COc1cc(C=NNC(=O)CNC(=O)c2ccncc2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is YKOAHXXIORAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-12(23)27-15-4-3-13(9-16(15)26-2)10-21-22-17(24)11-20-18(25)14-5-7-19-8-6-14/h3-10H,11H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 370.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 24818260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).