6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide

C13H9BrN4O — CID 137381836

IUPAC6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1cnccn1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H9BrN4O/c14-9-2-1-8-5-11(17-10(8)6-9)13(19)18-12-7-15-3-4-16-12/h1-7,17H,(H,16,18,19)
InChIKeyMZBPXXMSONQIHB-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.97
Rot. Bonds2

About 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide

6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide (PubChem CID 137381836) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide
PubChem CID137381836
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1cnccn1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H9BrN4O/c14-9-2-1-8-5-11(17-10(8)6-9)13(19)18-12-7-15-3-4-16-12/h1-7,17H,(H,16,18,19)
InChIKeyMZBPXXMSONQIHB-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
CID 56527542
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide (CID 137381836) is 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide is O=C(Nc1cnccn1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide?
The InChIKey is MZBPXXMSONQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-9-2-1-8-5-11(17-10(8)6-9)13(19)18-12-7-15-3-4-16-12/h1-7,17H,(H,16,18,19).
What are the key properties of 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide?
6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pyrazin-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 137381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).