5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide

C22H23FN4O — CID 109284508

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C22H23FN4O/c23-19-10-8-18(9-11-19)12-14-24-21-16-26-20(15-27-21)22(28)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,24,27)(H,25,28)
InChIKeyVPGKQHDQBIZERO-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.63
Rot. Bonds9

About 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 109284508) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID109284508
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C22H23FN4O/c23-19-10-8-18(9-11-19)12-14-24-21-16-26-20(15-27-21)22(28)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,24,27)(H,25,28)
InChIKeyVPGKQHDQBIZERO-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide (CID 109284508) is 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide is O=C(NCCCc1ccccc1)c1cnc(NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is VPGKQHDQBIZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-10-8-18(9-11-19)12-14-24-21-16-26-20(15-27-21)22(28)25-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,24,27)(H,25,28).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.63, 9 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-(3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).