(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate

C18H20N3O2- — CID 6198728

IUPAC(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
SMILESCc1ccc(N/N=C(/CCCCC(=O)[O-])c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-9-11-15(12-10-14)20-21-17(7-2-3-8-18(22)23)16-6-4-5-13-19-16/h4-6,9-13,20H,2-3,7-8H2,1H3,(H,22,23)/p-1/b21-17-
InChIKeyBMVJPCHIZHZLEM-FXBPSFAMSA-M
MW310.38 g/mol
LogP2.52
Rot. Bonds8

About (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate

(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate (PubChem CID 6198728) has the molecular formula C18H20N3O2- and a molecular weight of 310.38 g/mol. Its IUPAC name is (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate.

Molecular Properties

Compound Name(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
PubChem CID6198728
Molecular FormulaC18H20N3O2-
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate
SMILESCc1ccc(N/N=C(/CCCCC(=O)[O-])c2ccccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-9-11-15(12-10-14)20-21-17(7-2-3-8-18(22)23)16-6-4-5-13-19-16/h4-6,9-13,20H,2-3,7-8H2,1H3,(H,22,23)/p-1/b21-17-
InChIKeyBMVJPCHIZHZLEM-FXBPSFAMSA-M
XLogP2.52
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate with MolForge

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Related Compounds

(6Z)-6-[(4-nitrophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6837215
(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437
(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6198735
(6E)-6-[(2-fluorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 7596836
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
(NZ)-N-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
N-(1-pyridin-2-ylheptylidene)hydroxylamine
CID 658439
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate?
The IUPAC name of (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate (CID 6198728) is (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate.
What is the SMILES notation for (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate?
The canonical SMILES for (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate is Cc1ccc(N/N=C(/CCCCC(=O)[O-])c2ccccn2)cc1.
What is the InChIKey of (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate?
The InChIKey is BMVJPCHIZHZLEM-FXBPSFAMSA-M. The full InChI is InChI=1S/C18H21N3O2/c1-14-9-11-15(12-10-14)20-21-17(7-2-3-8-18(22)23)16-6-4-5-13-19-16/h4-6,9-13,20H,2-3,7-8H2,1H3,(H,22,23)/p-1/b21-17-.
What are the key properties of (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate?
(6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate has a molecular weight of 310.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-methylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoate is sourced from PubChem (CID 6198728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).