N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C15H13F3N4O — CID 109272085

IUPACN-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-6-19-14(23)12-8-21-13(9-20-12)22-11-5-3-4-10(7-11)15(16,17)18/h2-5,7-9H,1,6H2,(H,19,23)(H,21,22)
InChIKeyIMEMPPSLOLSLOI-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.15
Rot. Bonds5

About N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide

N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109272085) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109272085
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-6-19-14(23)12-8-21-13(9-20-12)22-11-5-3-4-10(7-11)15(16,17)18/h2-5,7-9H,1,6H2,(H,19,23)(H,21,22)
InChIKeyIMEMPPSLOLSLOI-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.15
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-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109272282
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
N-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109272085) is N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide is C=CCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is IMEMPPSLOLSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-2-6-19-14(23)12-8-21-13(9-20-12)22-11-5-3-4-10(7-11)15(16,17)18/h2-5,7-9H,1,6H2,(H,19,23)(H,21,22).
What are the key properties of N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109272085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).