N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

C20H26N4O2 — CID 135576570

IUPACN-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCC(C)(C)c1cc(/C=N/NC(=O)c2cnccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N4O2/c1-19(2,3)14-9-13(10-15(17(14)25)20(4,5)6)11-23-24-18(26)16-12-21-7-8-22-16/h7-12,25H,1-6H3,(H,24,26)/b23-11+
InChIKeyGSNSJAMMEWEGBG-FOKLQQMPSA-N
MW354.45 g/mol
LogP3.54
Rot. Bonds3

About N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 135576570) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID135576570
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCC(C)(C)c1cc(/C=N/NC(=O)c2cnccn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N4O2/c1-19(2,3)14-9-13(10-15(17(14)25)20(4,5)6)11-23-24-18(26)16-12-21-7-8-22-16/h7-12,25H,1-6H3,(H,24,26)/b23-11+
InChIKeyGSNSJAMMEWEGBG-FOKLQQMPSA-N
XLogP3.54
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

Pyrazine-2-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135470871
N'-(3,5-ditert-butyl-2-hydroxybenzylidene)nicotinohydrazide
CID 136241419
N'-[3-(2-methoxyphenyl)-2-propenylidene]-2-pyrazinecarbohydrazide
CID 6861745
(E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 135506059
N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene]pyrazine-2-carbohydrazide
CID 135703773
N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-pyrazinecarbohydrazide
CID 5402198
Pyrazine-2-carboxylic acid (5-bromo-2-hydroxy-benzylidene)-hydrazide
CID 135688171
(E)-N'-(3-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 5726080
N'-(4-methoxybenzylidene)-2-pyrazinecarbohydrazide
CID 6863206
N-[(E)-(2-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6871864
N'-[(1E)-1-(4-methoxyphenyl)ethylidene]pyrazine-2-carbohydrazide
CID 9615818
N'-(4-hydroxybenzylidene)-2-pyrazinecarbohydrazide
CID 135446634

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 135576570) is N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is CC(C)(C)c1cc(/C=N/NC(=O)c2cnccn2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is GSNSJAMMEWEGBG-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-19(2,3)14-9-13(10-15(17(14)25)20(4,5)6)11-23-24-18(26)16-12-21-7-8-22-16/h7-12,25H,1-6H3,(H,24,26)/b23-11+.
What are the key properties of N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 135576570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).