3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide

C11H9IN4O — CID 46525550

IUPAC3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN4O/c12-7-1-3-8(4-2-7)16-11(17)9-10(13)15-6-5-14-9/h1-6H,(H2,13,15)(H,16,17)
InChIKeyZHZATIMWTRTJJP-UHFFFAOYSA-N
MW340.12 g/mol
LogP1.92
Rot. Bonds2

About 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide

3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide (PubChem CID 46525550) has the molecular formula C11H9IN4O and a molecular weight of 340.12 g/mol. Its IUPAC name is 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
PubChem CID46525550
Molecular FormulaC11H9IN4O
Molecular Weight340.12 g/mol
Exact Mass339.98
IUPAC Name3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H9IN4O/c12-7-1-3-8(4-2-7)16-11(17)9-10(13)15-6-5-14-9/h1-6H,(H2,13,15)(H,16,17)
InChIKeyZHZATIMWTRTJJP-UHFFFAOYSA-N
XLogP1.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-amino-N-(4-iodophenyl)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

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]pyrazine-2-carboxamide
CID 30831083
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 167744736
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
3-amino-N-[2-(dimethylamino)-4-pyridinyl]pyrazine-2-carboxamide
CID 154749790
1-[(3-aminopyrazine-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 70677465
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
3-amino-N-(3-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 136524322

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide (CID 46525550) is 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide?
The InChIKey is ZHZATIMWTRTJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O/c12-7-1-3-8(4-2-7)16-11(17)9-10(13)15-6-5-14-9/h1-6H,(H2,13,15)(H,16,17).
What are the key properties of 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide?
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide has a molecular weight of 340.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 46525550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).