3-(3-bromoanilino)pyrazine-2-carboxamide

C11H9BrN4O — CID 122372728

IUPAC3-(3-bromoanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1cccc(Br)c1
InChIInChI=1S/C11H9BrN4O/c12-7-2-1-3-8(6-7)16-11-9(10(13)17)14-4-5-15-11/h1-6H,(H2,13,17)(H,15,16)
InChIKeyLHZPFFNIMNMNNT-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.08
Rot. Bonds3

About 3-(3-bromoanilino)pyrazine-2-carboxamide

3-(3-bromoanilino)pyrazine-2-carboxamide (PubChem CID 122372728) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 3-(3-bromoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3-bromoanilino)pyrazine-2-carboxamide
PubChem CID122372728
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name3-(3-bromoanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1cccc(Br)c1
InChIInChI=1S/C11H9BrN4O/c12-7-2-1-3-8(6-7)16-11-9(10(13)17)14-4-5-15-11/h1-6H,(H2,13,17)(H,15,16)
InChIKeyLHZPFFNIMNMNNT-UHFFFAOYSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichloroanilino)pyrazine-2-carboxamide
CID 122372729
3-(3-methylanilino)pyrazine-2-carbothioamide
CID 55103328
5-[(3-carbamoylpyrazin-2-yl)amino]-2-methylbenzoic acid
CID 63653354
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
4-[(3-carbamothioylpyrazin-2-yl)amino]benzamide
CID 55103040
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
sodium 6-(3-bromoanilino)-5-carbamoyl-2-methylpyridine-3-carboxylate
CID 23689600
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)pyrazine-2-carboxamide?
The IUPAC name of 3-(3-bromoanilino)pyrazine-2-carboxamide (CID 122372728) is 3-(3-bromoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(3-bromoanilino)pyrazine-2-carboxamide?
The canonical SMILES for 3-(3-bromoanilino)pyrazine-2-carboxamide is NC(=O)c1nccnc1Nc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromoanilino)pyrazine-2-carboxamide?
The InChIKey is LHZPFFNIMNMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-7-2-1-3-8(6-7)16-11-9(10(13)17)14-4-5-15-11/h1-6H,(H2,13,17)(H,15,16).
What are the key properties of 3-(3-bromoanilino)pyrazine-2-carboxamide?
3-(3-bromoanilino)pyrazine-2-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 122372728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).