5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide

C11H15F3N4O2 — CID 107375742

IUPAC5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-9-6-17-8(5-18-9)10(19)16-3-4-20-7-11(12,13)14/h5-6H,2-4,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyZLPDAWMGMBRNNK-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.22
Rot. Bonds7

About 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide

5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 107375742) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide
PubChem CID107375742
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-2-15-9-6-17-8(5-18-9)10(19)16-3-4-20-7-11(12,13)14/h5-6H,2-4,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyZLPDAWMGMBRNNK-UHFFFAOYSA-N
XLogP1.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2-carboxamide
CID 107377215
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide (CID 107375742) is 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCOCC(F)(F)F)cn1.
What is the InChIKey of 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZLPDAWMGMBRNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-2-15-9-6-17-8(5-18-9)10(19)16-3-4-20-7-11(12,13)14/h5-6H,2-4,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide?
5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107375742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).