N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide

C18H22N4O2 — CID 91626177

IUPACN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H22N4O2/c19-12-16-18(21-11-10-20-16)24-15-8-6-14(7-9-15)22-17(23)13-4-2-1-3-5-13/h1-2,10-11,13-15H,3-9H2,(H,22,23)
InChIKeyCJMVXMRBVKXQMQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide (PubChem CID 91626177) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
PubChem CID91626177
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESN#Cc1nccnc1OC1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C18H22N4O2/c19-12-16-18(21-11-10-20-16)24-15-8-6-14(7-9-15)22-17(23)13-4-2-1-3-5-13/h1-2,10-11,13-15H,3-9H2,(H,22,23)
InChIKeyCJMVXMRBVKXQMQ-UHFFFAOYSA-N
XLogP2.51
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
(2S,3R)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 100748728
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-hydroxy-2-phenylacetamide
CID 91626184
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 91626176
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
1-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 91626201
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 164632830
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
CID 91626214
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
CID 71786222
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide (CID 91626177) is N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide is N#Cc1nccnc1OC1CCC(NC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CJMVXMRBVKXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-12-16-18(21-11-10-20-16)24-15-8-6-14(7-9-15)22-17(23)13-4-2-1-3-5-13/h1-2,10-11,13-15H,3-9H2,(H,22,23).
What are the key properties of N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide?
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 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]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91626177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).