[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid

C13H16BrN5O2 — CID 135240575

IUPAC[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1nc(N2CCC(C)(NC(=O)O)CC2)c(C#N)nc1Br
InChIInChI=1S/C13H16BrN5O2/c1-8-10(14)17-9(7-15)11(16-8)19-5-3-13(2,4-6-19)18-12(20)21/h18H,3-6H2,1-2H3,(H,20,21)
InChIKeyJEPOMHUAXVKCEV-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.05
Rot. Bonds2

About [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid

[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 135240575) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid
PubChem CID135240575
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1nc(N2CCC(C)(NC(=O)O)CC2)c(C#N)nc1Br
InChIInChI=1S/C13H16BrN5O2/c1-8-10(14)17-9(7-15)11(16-8)19-5-3-13(2,4-6-19)18-12(20)21/h18H,3-6H2,1-2H3,(H,20,21)
InChIKeyJEPOMHUAXVKCEV-UHFFFAOYSA-N
XLogP2.05
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid 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

[1-(3-bromo-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 166652870
[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 118239519
[1-(6-bromo-3-pyridinyl)-4-methylpiperidin-4-yl]carbamic acid
CID 134496862
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808
2-[[(1R)-1-[2-cyano-3-(4-cyano-4-methylpiperidin-1-yl)-7-methylquinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521492
[4-methyl-1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 139434669
tert-butyl N-[1-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methylpiperidin-4-yl]carbamate
CID 156805985
tert-butyl N-[1-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 155089509
2-[[(1S)-1-[2-cyano-3-(4,4-difluoropiperidin-1-yl)-7-methylquinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521608
2-[1-[2-cyano-7-methyl-3-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]quinoxalin-5-yl]ethylamino]benzoic acid
CID 172521604
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 107269419

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid (CID 135240575) is [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid is Cc1nc(N2CCC(C)(NC(=O)O)CC2)c(C#N)nc1Br.
What is the InChIKey of [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is JEPOMHUAXVKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c1-8-10(14)17-9(7-15)11(16-8)19-5-3-13(2,4-6-19)18-12(20)21/h18H,3-6H2,1-2H3,(H,20,21).
What are the key properties of [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid?
[1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 354.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-cyano-6-methylpyrazin-2-yl)-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 135240575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).