(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate

C20H22N3O3- — CID 7987082

IUPAC(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate
SMILESCC(C)(C)c1ccc(/C(CCC(=O)[O-])=N\NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)16-8-6-14(7-9-16)17(10-11-18(24)25)22-23-19(26)15-5-4-12-21-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,25)/p-1/b22-17-
InChIKeyJVEBUCZEMQCBOL-XLNRJJMWSA-M
MW352.41 g/mol
LogP2.04
Rot. Bonds6

About (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate

(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate (PubChem CID 7987082) has the molecular formula C20H22N3O3- and a molecular weight of 352.41 g/mol. Its IUPAC name is (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate.

Molecular Properties

Compound Name(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate
PubChem CID7987082
Molecular FormulaC20H22N3O3-
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate
SMILESCC(C)(C)c1ccc(/C(CCC(=O)[O-])=N\NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)16-8-6-14(7-9-16)17(10-11-18(24)25)22-23-19(26)15-5-4-12-21-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,25)/p-1/b22-17-
InChIKeyJVEBUCZEMQCBOL-XLNRJJMWSA-M
XLogP2.04
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate 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-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate?
The IUPAC name of (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate (CID 7987082) is (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate.
What is the SMILES notation for (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate?
The canonical SMILES for (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate is CC(C)(C)c1ccc(/C(CCC(=O)[O-])=N\NC(=O)c2cccnc2)cc1.
What is the InChIKey of (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate?
The InChIKey is JVEBUCZEMQCBOL-XLNRJJMWSA-M. The full InChI is InChI=1S/C20H23N3O3/c1-20(2,3)16-8-6-14(7-9-16)17(10-11-18(24)25)22-23-19(26)15-5-4-12-21-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)(H,24,25)/p-1/b22-17-.
What are the key properties of (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate?
(4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate has a molecular weight of 352.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(4-tert-butylphenyl)-4-(pyridine-3-carbonylhydrazinylidene)butanoate is sourced from PubChem (CID 7987082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).