ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate

C17H20N4O2 — CID 102346634

IUPACethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
SMILESCCOC(=O)/C(=N\Nc1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C17H20N4O2/c1-4-23-17(22)16(15-7-5-6-12-18-15)20-19-13-8-10-14(11-9-13)21(2)3/h5-12,19H,4H2,1-3H3/b20-16-
InChIKeyXOBPIRWAHVYQLF-SILNSSARSA-N
MW312.37 g/mol
LogP2.53
Rot. Bonds6

About ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate

ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate (PubChem CID 102346634) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
PubChem CID102346634
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Nameethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate
SMILESCCOC(=O)/C(=N\Nc1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C17H20N4O2/c1-4-23-17(22)16(15-7-5-6-12-18-15)20-19-13-8-10-14(11-9-13)21(2)3/h5-12,19H,4H2,1-3H3/b20-16-
InChIKeyXOBPIRWAHVYQLF-SILNSSARSA-N
XLogP2.53
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
ethyl 2-(phenylhydrazinylidene)-2-(2H-tetrazol-5-yl)acetate
CID 137187314
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
ethyl pyridine-2-carboxylate
CID 17307
ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
CID 172551439
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
CID 11285903
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate?
The IUPAC name of ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate (CID 102346634) is ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate.
What is the SMILES notation for ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate?
The canonical SMILES for ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate is CCOC(=O)/C(=N\Nc1ccc(N(C)C)cc1)c1ccccn1.
What is the InChIKey of ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate?
The InChIKey is XOBPIRWAHVYQLF-SILNSSARSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-23-17(22)16(15-7-5-6-12-18-15)20-19-13-8-10-14(11-9-13)21(2)3/h5-12,19H,4H2,1-3H3/b20-16-.
What are the key properties of ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate?
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate has a molecular weight of 312.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[[4-(dimethylamino)phenyl]hydrazinylidene]-2-pyridin-2-ylacetate is sourced from PubChem (CID 102346634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).