5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide

C14H11BrN4O — CID 112527061

IUPAC5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1NC(=O)c1cnc(Br)cn1
InChIInChI=1S/C14H11BrN4O/c1-8-13(9-4-2-3-5-10(9)18-8)19-14(20)11-6-17-12(15)7-16-11/h2-7,18H,1H3,(H,19,20)
InChIKeyIGFSUKUIWDYPMQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide

5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide (PubChem CID 112527061) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
PubChem CID112527061
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1NC(=O)c1cnc(Br)cn1
InChIInChI=1S/C14H11BrN4O/c1-8-13(9-4-2-3-5-10(9)18-8)19-14(20)11-6-17-12(15)7-16-11/h2-7,18H,1H3,(H,19,20)
InChIKeyIGFSUKUIWDYPMQ-UHFFFAOYSA-N
XLogP3.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide (CID 112527061) is 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide is Cc1[nH]c2ccccc2c1NC(=O)c1cnc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide?
The InChIKey is IGFSUKUIWDYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8-13(9-4-2-3-5-10(9)18-8)19-14(20)11-6-17-12(15)7-16-11/h2-7,18H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide?
5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 112527061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).