3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide

C10H8BrN5O — CID 155555715

IUPAC3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C10H8BrN5O/c11-7-5-6(1-2-13-7)16-10(17)8-9(12)15-4-3-14-8/h1-5H,(H2,12,15)(H,13,16,17)
InChIKeyLNJBBJCKSYYYMU-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.47
Rot. Bonds2

About 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide

3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide (PubChem CID 155555715) has the molecular formula C10H8BrN5O and a molecular weight of 294.11 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide
PubChem CID155555715
Molecular FormulaC10H8BrN5O
Molecular Weight294.11 g/mol
Exact Mass292.99
IUPAC Name3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C10H8BrN5O/c11-7-5-6(1-2-13-7)16-10(17)8-9(12)15-4-3-14-8/h1-5H,(H2,12,15)(H,13,16,17)
InChIKeyLNJBBJCKSYYYMU-UHFFFAOYSA-N
XLogP1.47
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide (CID 155555715) is 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is LNJBBJCKSYYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O/c11-7-5-6(1-2-13-7)16-10(17)8-9(12)15-4-3-14-8/h1-5H,(H2,12,15)(H,13,16,17).
What are the key properties of 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155555715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).