N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide

C18H16BrClN4O2 — CID 155219255

IUPACN-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnc(Cl)cn3)CC2)cc1Br
InChIInChI=1S/C18H16BrClN4O2/c19-15-7-14(4-1-11(15)8-21)26-13-5-2-12(3-6-13)24-18(25)16-9-23-17(20)10-22-16/h1,4,7,9-10,12-13H,2-3,5-6H2,(H,24,25)
InChIKeyUQRYQNKFBMQFFK-UHFFFAOYSA-N
MW435.71 g/mol
LogP3.88
Rot. Bonds4

About N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide

N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide (PubChem CID 155219255) has the molecular formula C18H16BrClN4O2 and a molecular weight of 435.71 g/mol. Its IUPAC name is N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
PubChem CID155219255
Molecular FormulaC18H16BrClN4O2
Molecular Weight435.71 g/mol
Exact Mass434.01
IUPAC NameN-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnc(Cl)cn3)CC2)cc1Br
InChIInChI=1S/C18H16BrClN4O2/c19-15-7-14(4-1-11(15)8-21)26-13-5-2-12(3-6-13)24-18(25)16-9-23-17(20)10-22-16/h1,4,7,9-10,12-13H,2-3,5-6H2,(H,24,25)
InChIKeyUQRYQNKFBMQFFK-UHFFFAOYSA-N
XLogP3.88
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide (CID 155219255) is N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3cnc(Cl)cn3)CC2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide?
The InChIKey is UQRYQNKFBMQFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O2/c19-15-7-14(4-1-11(15)8-21)26-13-5-2-12(3-6-13)24-18(25)16-9-23-17(20)10-22-16/h1,4,7,9-10,12-13H,2-3,5-6H2,(H,24,25).
What are the key properties of N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide?
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide has a molecular weight of 435.71 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 155219255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).