5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide

C16H17FN4O — CID 109271987

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C16H17FN4O/c1-2-8-19-16(22)14-10-21-15(11-20-14)18-9-7-12-3-5-13(17)6-4-12/h2-6,10-11H,1,7-9H2,(H,18,21)(H,19,22)
InChIKeyMIRSDBUQKSUEAJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.19
Rot. Bonds7

About 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109271987) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109271987
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C16H17FN4O/c1-2-8-19-16(22)14-10-21-15(11-20-14)18-9-7-12-3-5-13(17)6-4-12/h2-6,10-11H,1,7-9H2,(H,18,21)(H,19,22)
InChIKeyMIRSDBUQKSUEAJ-UHFFFAOYSA-N
XLogP2.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.19
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-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271955
N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide (CID 109271987) is 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is MIRSDBUQKSUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-2-8-19-16(22)14-10-21-15(11-20-14)18-9-7-12-3-5-13(17)6-4-12/h2-6,10-11H,1,7-9H2,(H,18,21)(H,19,22).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109271987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).