5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide

C12H11BrN4O — CID 112530253

IUPAC5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnc(Br)cn1
InChIInChI=1S/C12H11BrN4O/c13-11-8-16-10(7-17-11)12(18)15-6-4-9-3-1-2-5-14-9/h1-3,5,7-8H,4,6H2,(H,15,18)
InChIKeyIBVGTJFIDVJFMD-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.61
Rot. Bonds4

About 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide

5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 112530253) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
PubChem CID112530253
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1cnc(Br)cn1
InChIInChI=1S/C12H11BrN4O/c13-11-8-16-10(7-17-11)12(18)15-6-4-9-3-1-2-5-14-9/h1-3,5,7-8H,4,6H2,(H,15,18)
InChIKeyIBVGTJFIDVJFMD-UHFFFAOYSA-N
XLogP1.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-pyridin-2-ylethyl)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

5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 175367392
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
5-methyl-N-[2-(2-pyridin-2-ylethylamino)phenyl]pyrazine-2-carboxamide
CID 86814979
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide (CID 112530253) is 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide is O=C(NCCc1ccccn1)c1cnc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is IBVGTJFIDVJFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-11-8-16-10(7-17-11)12(18)15-6-4-9-3-1-2-5-14-9/h1-3,5,7-8H,4,6H2,(H,15,18).
What are the key properties of 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide?
5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 112530253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).