5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

C18H19F3N4O — CID 109288675

IUPAC5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCCC1CCCCN1c1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C18H19F3N4O/c1-2-11-5-3-4-8-25(11)15-10-22-14(9-23-15)18(26)24-13-7-6-12(19)16(20)17(13)21/h6-7,9-11H,2-5,8H2,1H3,(H,24,26)
InChIKeyIQKNMRXYGAIPJV-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 109288675) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID109288675
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESCCC1CCCCN1c1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C18H19F3N4O/c1-2-11-5-3-4-8-25(11)15-10-22-14(9-23-15)18(26)24-13-7-6-12(19)16(20)17(13)21/h6-7,9-11H,2-5,8H2,1H3,(H,24,26)
InChIKeyIQKNMRXYGAIPJV-UHFFFAOYSA-N
XLogP3.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288660
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109288658
N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275073

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 109288675) is 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is CCC1CCCCN1c1cnc(C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is IQKNMRXYGAIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-2-11-5-3-4-8-25(11)15-10-22-14(9-23-15)18(26)24-13-7-6-12(19)16(20)17(13)21/h6-7,9-11H,2-5,8H2,1H3,(H,24,26).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).