N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide

C20H18N4O2 — CID 45054782

IUPACN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1
InChIInChI=1S/C20H18N4O2/c1-15-2-4-17(5-3-15)14-26-18-8-6-16(7-9-18)12-23-24-20(25)19-13-21-10-11-22-19/h2-13H,14H2,1H3,(H,24,25)/b23-12+
InChIKeyOKHQXSWTTPQCQH-FSJBWODESA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds6

About N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide

N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 45054782) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide
PubChem CID45054782
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCc1ccc(COc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1
InChIInChI=1S/C20H18N4O2/c1-15-2-4-17(5-3-15)14-26-18-8-6-16(7-9-18)12-23-24-20(25)19-13-21-10-11-22-19/h2-13H,14H2,1H3,(H,24,25)/b23-12+
InChIKeyOKHQXSWTTPQCQH-FSJBWODESA-N
XLogP3.13
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
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'}

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Related Compounds

N'-(4-hydroxy-3-methoxybenzylidene)-2-pyrazinecarbohydrazide
CID 135444136
5,6-bis(4-methoxyphenyl)-N-(piperidin-1-yl)pyrazine-2-carboxamide
CID 10194582
N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 5726079
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N'-(3,4,5-trimethoxybenzylidene)-2-pyrazinecarbohydrazide
CID 5335546
N'-(2,3,4-Trimethoxybenzylidene)-2-pyrazinecarbohydrazide
CID 5726082
Pyrazine-2-carboxylic acid (3-hydroxy-4-methoxy-benzylidene)-hydrazide
CID 9556845
N'-(2-(naphthalen-2-yloxy)acetyl)pyrazine-2-carbohydrazide
CID 937949
N'-[(E)-(2,5-dimethoxyphenyl)methylidene]pyrazine-2-carbohydrazide
CID 5726220
N'-[3-(2-methoxyphenyl)-2-propenylidene]-2-pyrazinecarbohydrazide
CID 6861745
N'-[(E)-(3-methoxyphenyl)methylidene]-2-pyrazinecarbohydrazide
CID 6885678

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide (CID 45054782) is N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide is Cc1ccc(COc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is OKHQXSWTTPQCQH-FSJBWODESA-N. The full InChI is InChI=1S/C20H18N4O2/c1-15-2-4-17(5-3-15)14-26-18-8-6-16(7-9-18)12-23-24-20(25)19-13-21-10-11-22-19/h2-13H,14H2,1H3,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide?
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 45054782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).