5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

C23H25FN4O — CID 109284540

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C23H25FN4O/c1-15(2)19-6-4-5-16(3)22(19)28-23(29)20-13-27-21(14-26-20)25-12-11-17-7-9-18(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyWZZNMZZPSQYENA-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.95
Rot. Bonds7

About 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109284540) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109284540
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C23H25FN4O/c1-15(2)19-6-4-5-16(3)22(19)28-23(29)20-13-27-21(14-26-20)25-12-11-17-7-9-18(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,27)(H,28,29)
InChIKeyWZZNMZZPSQYENA-UHFFFAOYSA-N
XLogP4.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260147
N-(2,3-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284532
5-[(3-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280424
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109284540) is 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is WZZNMZZPSQYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15(2)19-6-4-5-16(3)22(19)28-23(29)20-13-27-21(14-26-20)25-12-11-17-7-9-18(24)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,27)(H,28,29).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.95, 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-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).