5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide

C13H13IN4O — CID 107374377

IUPAC5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C13H13IN4O/c1-2-15-12-8-16-11(7-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,17)(H,18,19)
InChIKeyHFSZJFWAZOXVFJ-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.77
Rot. Bonds4

About 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide

5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide (PubChem CID 107374377) has the molecular formula C13H13IN4O and a molecular weight of 368.18 g/mol. Its IUPAC name is 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
PubChem CID107374377
Molecular FormulaC13H13IN4O
Molecular Weight368.18 g/mol
Exact Mass368.01
IUPAC Name5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C13H13IN4O/c1-2-15-12-8-16-11(7-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,17)(H,18,19)
InChIKeyHFSZJFWAZOXVFJ-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-(4-iodophenyl)pyridine-3-carboxamide
CID 62166329
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
5-(ethylamino)-N-(2-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 107376119
N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374031
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374422
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
N-(2,4-dibromophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375297
5-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyrazine-2-carboxamide
CID 107377055
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376370

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide (CID 107374377) is 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide is CCNc1cnc(C(=O)Nc2ccc(I)cc2)cn1.
What is the InChIKey of 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide?
The InChIKey is HFSZJFWAZOXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O/c1-2-15-12-8-16-11(7-17-12)13(19)18-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide?
5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide has a molecular weight of 368.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).