(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

C20H25N3O2 — CID 6198735

IUPAC(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESCC(C)c1ccc(N/N=C(\CCCCC(=O)O)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)16-10-12-17(13-11-16)22-23-19(8-3-4-9-20(24)25)18-7-5-6-14-21-18/h5-7,10-15,22H,3-4,8-9H2,1-2H3,(H,24,25)/b23-19+
InChIKeyKXIYKWBXOJJCMI-FCDQGJHFSA-N
MW339.44 g/mol
LogP4.67
Rot. Bonds9

About (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid

(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (PubChem CID 6198735) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
PubChem CID6198735
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
SMILESCC(C)c1ccc(N/N=C(\CCCCC(=O)O)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)16-10-12-17(13-11-16)22-23-19(8-3-4-9-20(24)25)18-7-5-6-14-21-18/h5-7,10-15,22H,3-4,8-9H2,1-2H3,(H,24,25)/b23-19+
InChIKeyKXIYKWBXOJJCMI-FCDQGJHFSA-N
XLogP4.67
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic 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

(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437
(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
CID 6198728
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
N'-(4-propan-2-ylphenyl)pyridine-2-carbohydrazide
CID 171665742
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
cumene;octanoic acid
CID 174815768
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The IUPAC name of (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid (CID 6198735) is (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is CC(C)c1ccc(N/N=C(\CCCCC(=O)O)c2ccccn2)cc1.
What is the InChIKey of (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
The InChIKey is KXIYKWBXOJJCMI-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)16-10-12-17(13-11-16)22-23-19(8-3-4-9-20(24)25)18-7-5-6-14-21-18/h5-7,10-15,22H,3-4,8-9H2,1-2H3,(H,24,25)/b23-19+.
What are the key properties of (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid?
(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid has a molecular weight of 339.44 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 6198735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).