N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide

C18H17ClN4O2 — CID 155218483

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-16-9-15(4-1-12(16)10-20)25-14-5-2-13(3-6-14)23-18(24)17-11-21-7-8-22-17/h1,4,7-9,11,13-14H,2-3,5-6H2,(H,23,24)
InChIKeyHTUGTAKXKTXISN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.12
Rot. Bonds4

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 155218483) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
PubChem CID155218483
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-16-9-15(4-1-12(16)10-20)25-14-5-2-13(3-6-14)23-18(24)17-11-21-7-8-22-17/h1,4,7-9,11,13-14H,2-3,5-6H2,(H,23,24)
InChIKeyHTUGTAKXKTXISN-UHFFFAOYSA-N
XLogP3.12
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(4-methylcyclohexylidene)methyl]pyrazine-2-carboxamide
CID 166980965
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219537
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(3R)-3-methylpiperazin-1-yl]pyrazine-2-carboxamide
CID 155219015
N-[5-(3-chloro-4-cyanophenoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyridine-2-carboxamide
CID 155219152
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
tert-butyl 4-[5-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 155218743

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide (CID 155218483) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3cnccn3)CC2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is HTUGTAKXKTXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-16-9-15(4-1-12(16)10-20)25-14-5-2-13(3-6-14)23-18(24)17-11-21-7-8-22-17/h1,4,7-9,11,13-14H,2-3,5-6H2,(H,23,24).
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155218483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).