N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide

C17H16BrN5O2 — CID 155219537

IUPACN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
SMILESN#Cc1ncc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Br
InChIInChI=1S/C17H16BrN5O2/c18-14-7-13(9-22-15(14)8-19)25-12-3-1-11(2-4-12)23-17(24)16-10-20-5-6-21-16/h5-7,9-12H,1-4H2,(H,23,24)
InChIKeyJEAUNZRZTJKVON-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide

N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide (PubChem CID 155219537) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
PubChem CID155219537
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC NameN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
SMILESN#Cc1ncc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Br
InChIInChI=1S/C17H16BrN5O2/c18-14-7-13(9-22-15(14)8-19)25-12-3-1-11(2-4-12)23-17(24)16-10-20-5-6-21-16/h5-7,9-12H,1-4H2,(H,23,24)
InChIKeyJEAUNZRZTJKVON-UHFFFAOYSA-N
XLogP2.63
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]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

N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219534
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
CID 155219529
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218567
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
N-[2-[4-cyano-3-(trifluoromethyl)phenoxy]spiro[3.3]heptan-6-yl]pyrazine-2-carboxamide
CID 155218477

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide (CID 155219537) is N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide is N#Cc1ncc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Br.
What is the InChIKey of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is JEAUNZRZTJKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c18-14-7-13(9-22-15(14)8-19)25-12-3-1-11(2-4-12)23-17(24)16-10-20-5-6-21-16/h5-7,9-12H,1-4H2,(H,23,24).
What are the key properties of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide?
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155219537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).