5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C15H13F3N4O — CID 109272282

IUPAC5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-7-19-13-9-20-12(8-21-13)14(23)22-11-5-3-10(4-6-11)15(16,17)18/h2-6,8-9H,1,7H2,(H,19,21)(H,22,23)
InChIKeyVRBKLCNTDBQIST-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.35
Rot. Bonds5

About 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109272282) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109272282
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N4O/c1-2-7-19-13-9-20-12(8-21-13)14(23)22-11-5-3-10(4-6-11)15(16,17)18/h2-6,8-9H,1,7H2,(H,19,21)(H,22,23)
InChIKeyVRBKLCNTDBQIST-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085

Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109272282) is 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is VRBKLCNTDBQIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-2-7-19-13-9-20-12(8-21-13)14(23)22-11-5-3-10(4-6-11)15(16,17)18/h2-6,8-9H,1,7H2,(H,19,21)(H,22,23).
What are the key properties of 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109272282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).