(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine

C20H26N4O2 — CID 164857618

IUPAC(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine
SMILESCCc1cc(C#CC2CC2)cnc1C(/C=N/CC1OCC(C)(C)O1)=N/N
InChIInChI=1S/C20H26N4O2/c1-4-16-9-15(8-7-14-5-6-14)10-23-19(16)17(24-21)11-22-12-18-25-13-20(2,3)26-18/h9-11,14,18H,4-6,12-13,21H2,1-3H3/b22-11+,24-17+
InChIKeyAMZWJVKOUJYVDM-MGZHUYFUSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds5

About (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine

(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine (PubChem CID 164857618) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine.

Molecular Properties

Compound Name(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine
PubChem CID164857618
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine
SMILESCCc1cc(C#CC2CC2)cnc1C(/C=N/CC1OCC(C)(C)O1)=N/N
InChIInChI=1S/C20H26N4O2/c1-4-16-9-15(8-7-14-5-6-14)10-23-19(16)17(24-21)11-22-12-18-25-13-20(2,3)26-18/h9-11,14,18H,4-6,12-13,21H2,1-3H3/b22-11+,24-17+
InChIKeyAMZWJVKOUJYVDM-MGZHUYFUSA-N
XLogP2.29
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The IUPAC name of (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine (CID 164857618) is (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine.
What is the SMILES notation for (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The canonical SMILES for (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine is CCc1cc(C#CC2CC2)cnc1C(/C=N/CC1OCC(C)(C)O1)=N/N.
What is the InChIKey of (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
The InChIKey is AMZWJVKOUJYVDM-MGZHUYFUSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-16-9-15(8-7-14-5-6-14)10-23-19(16)17(24-21)11-22-12-18-25-13-20(2,3)26-18/h9-11,14,18H,4-6,12-13,21H2,1-3H3/b22-11+,24-17+.
What are the key properties of (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine?
(2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine has a molecular weight of 354.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[5-(2-cyclopropylethynyl)-3-ethyl-2-pyridinyl]-N-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-2-hydrazinylideneethanimine is sourced from PubChem (CID 164857618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).