N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide

C12H8I2N4O2 — CID 135715757

IUPACN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cc(I)cc(I)c1O)c1cnccn1
InChIInChI=1S/C12H8I2N4O2/c13-8-3-7(11(19)9(14)4-8)5-17-18-12(20)10-6-15-1-2-16-10/h1-6,19H,(H,18,20)/b17-5+
InChIKeyBXXRRWUEQLQDIE-YAXRCOADSA-N
MW494.03 g/mol
LogP2.16
Rot. Bonds3

About N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 135715757) has the molecular formula C12H8I2N4O2 and a molecular weight of 494.03 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID135715757
Molecular FormulaC12H8I2N4O2
Molecular Weight494.03 g/mol
Exact Mass493.87
IUPAC NameN-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cc(I)cc(I)c1O)c1cnccn1
InChIInChI=1S/C12H8I2N4O2/c13-8-3-7(11(19)9(14)4-8)5-17-18-12(20)10-6-15-1-2-16-10/h1-6,19H,(H,18,20)/b17-5+
InChIKeyBXXRRWUEQLQDIE-YAXRCOADSA-N
XLogP2.16
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.03
LogP ≤ 52.16
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
N-[(2-hydroxy-4-methylphenyl)methylideneamino]pyrazine-2-carboxamide
CID 3450119
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135644732
4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 71833431
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 3112408
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
CID 136848828
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide (CID 135715757) is N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide is O=C(N/N=C/c1cc(I)cc(I)c1O)c1cnccn1.
What is the InChIKey of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is BXXRRWUEQLQDIE-YAXRCOADSA-N. The full InChI is InChI=1S/C12H8I2N4O2/c13-8-3-7(11(19)9(14)4-8)5-17-18-12(20)10-6-15-1-2-16-10/h1-6,19H,(H,18,20)/b17-5+.
What are the key properties of N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 494.03 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 135715757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).