N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide

C10H7BrN4O2 — CID 102674338

IUPACN-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H7BrN4O2/c11-6-1-2-12-8(3-6)15-10(17)7-4-14-9(16)5-13-7/h1-5H,(H,14,16)(H,12,15,17)
InChIKeyBNGDMAJAOWCJLP-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.18
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 102674338) has the molecular formula C10H7BrN4O2 and a molecular weight of 295.10 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID102674338
Molecular FormulaC10H7BrN4O2
Molecular Weight295.10 g/mol
Exact Mass293.98
IUPAC NameN-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H7BrN4O2/c11-6-1-2-12-8(3-6)15-10(17)7-4-14-9(16)5-13-7/h1-5H,(H,14,16)(H,12,15,17)
InChIKeyBNGDMAJAOWCJLP-UHFFFAOYSA-N
XLogP1.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 102674338) is N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(Nc1cc(Br)ccn1)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is BNGDMAJAOWCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2/c11-6-1-2-12-8(3-6)15-10(17)7-4-14-9(16)5-13-7/h1-5H,(H,14,16)(H,12,15,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 295.10 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 102674338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).