N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide

C14H14N4O2 — CID 137292474

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide
SMILESCC/C(=N\NC(=O)c1cnccn1)c1ccccc1O
InChIInChI=1S/C14H14N4O2/c1-2-11(10-5-3-4-6-13(10)19)17-18-14(20)12-9-15-7-8-16-12/h3-9,19H,2H2,1H3,(H,18,20)/b17-11+
InChIKeyKOCYCVJGYCKNMT-GZTJUZNOSA-N
MW270.29 g/mol
LogP1.73
Rot. Bonds4

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide (PubChem CID 137292474) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide
PubChem CID137292474
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide
SMILESCC/C(=N\NC(=O)c1cnccn1)c1ccccc1O
InChIInChI=1S/C14H14N4O2/c1-2-11(10-5-3-4-6-13(10)19)17-18-14(20)12-9-15-7-8-16-12/h3-9,19H,2H2,1H3,(H,18,20)/b17-11+
InChIKeyKOCYCVJGYCKNMT-GZTJUZNOSA-N
XLogP1.73
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N'-(4-hydroxy-3-methoxybenzylidene)-2-pyrazinecarbohydrazide
CID 135444136
Pyrazine-2-carboxylic acid [1-(2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 135470912
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 5726079
2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 135411993
(Z)-N'-(1-(4-hydroxyphenyl)ethylidene)picolinohydrazide
CID 135589454
Pyrazine-2-carboxylic acid (3-hydroxy-4-methoxy-benzylidene)-hydrazide
CID 9556845
Pyrazine-2-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135470871
N'-[(E)-(2,5-dimethoxyphenyl)methylidene]pyrazine-2-carbohydrazide
CID 5726220
N'-[3-(2-methoxyphenyl)-2-propenylidene]-2-pyrazinecarbohydrazide
CID 6861745
(E)-1-(5-butylpyrazin-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 6474712
(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one
CID 6474713
N'-[(E)-(3-methoxyphenyl)methylidene]-2-pyrazinecarbohydrazide
CID 6885678

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide (CID 137292474) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide is CC/C(=N\NC(=O)c1cnccn1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide?
The InChIKey is KOCYCVJGYCKNMT-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-11(10-5-3-4-6-13(10)19)17-18-14(20)12-9-15-7-8-16-12/h3-9,19H,2H2,1H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 137292474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).