5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide

C19H20F2N4O — CID 109275648

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H20F2N4O/c20-14-7-4-8-15(21)18(14)25-19(26)16-11-24-17(12-23-16)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,22,24)(H,25,26)
InChIKeyLVESPDNPXOUASS-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.31
Rot. Bonds6

About 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 109275648) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
PubChem CID109275648
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cnc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H20F2N4O/c20-14-7-4-8-15(21)18(14)25-19(26)16-11-24-17(12-23-16)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,22,24)(H,25,26)
InChIKeyLVESPDNPXOUASS-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275644
methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109275513
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109275614
N-(3-chloro-4-methoxyphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275603
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109342577
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380
[5-[2-(cyclohexen-1-yl)ethylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109275511
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972660

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide (CID 109275648) is 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide is O=C(Nc1c(F)cccc1F)c1cnc(NCCC2=CCCCC2)cn1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is LVESPDNPXOUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c20-14-7-4-8-15(21)18(14)25-19(26)16-11-24-17(12-23-16)22-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,22,24)(H,25,26).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide?
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).