N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide

C18H17FN4O2 — CID 91626145

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)17(24)23-14-5-7-15(8-6-14)25-18-16(11-20)21-9-10-22-18/h1-4,9-10,14-15H,5-8H2,(H,23,24)
InChIKeyMIFRXEKJNBODSR-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.61
Rot. Bonds4

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide (PubChem CID 91626145) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
PubChem CID91626145
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)17(24)23-14-5-7-15(8-6-14)25-18-16(11-20)21-9-10-22-18/h1-4,9-10,14-15H,5-8H2,(H,23,24)
InChIKeyMIFRXEKJNBODSR-UHFFFAOYSA-N
XLogP2.61
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
CID 91626214
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
CID 91626184
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
CID 91626177
1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 91626201
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 91626176
(2S,3R)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 100748728
N-[4-(cyanomethyl)cyclohexyl]-4-fluorobenzamide
CID 115270262
N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
CID 136534296
4-fluoro-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]benzamide
CID 165112983
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide (CID 91626145) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide is N#Cc1nccnc1OC1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide?
The InChIKey is MIFRXEKJNBODSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)17(24)23-14-5-7-15(8-6-14)25-18-16(11-20)21-9-10-22-18/h1-4,9-10,14-15H,5-8H2,(H,23,24).
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide has a molecular weight of 340.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 91626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).