5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C22H23FN4O — CID 109284363

IUPAC5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCCc3ccccc3F)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-15(2)16-7-9-18(10-8-16)27-22(28)20-13-26-21(14-25-20)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyDIEKSSMLFRLKGA-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.65
Rot. Bonds7

About 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109284363) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109284363
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCCc3ccccc3F)cn2)cc1
InChIInChI=1S/C22H23FN4O/c1-15(2)16-7-9-18(10-8-16)27-22(28)20-13-26-21(14-25-20)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyDIEKSSMLFRLKGA-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
6-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109158531
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109284363) is 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(NCCc3ccccc3F)cn2)cc1.
What is the InChIKey of 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is DIEKSSMLFRLKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15(2)16-7-9-18(10-8-16)27-22(28)20-13-26-21(14-25-20)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-15H,11-12H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).