5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide

C10H13BrN4O — CID 112531060

IUPAC5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cnc(Br)cn1
InChIInChI=1S/C10H13BrN4O/c11-9-6-13-8(5-14-9)10(16)15-7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,15,16)
InChIKeyIEHXLMRTUUGYCV-UHFFFAOYSA-N
MW285.14 g/mol
LogP0.72
Rot. Bonds2

About 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide

5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide (PubChem CID 112531060) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
PubChem CID112531060
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cnc(Br)cn1
InChIInChI=1S/C10H13BrN4O/c11-9-6-13-8(5-14-9)10(16)15-7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,15,16)
InChIKeyIEHXLMRTUUGYCV-UHFFFAOYSA-N
XLogP0.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 167821814
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-[(2R)-2-methyl-2,3-dihydro-1H-indol-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 167969429
5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide (CID 112531060) is 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide is O=C(NC1CCNCC1)c1cnc(Br)cn1.
What is the InChIKey of 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide?
The InChIKey is IEHXLMRTUUGYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-9-6-13-8(5-14-9)10(16)15-7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,15,16).
What are the key properties of 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide?
5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 112531060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).