5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide

C16H18Cl2N4O — CID 109271241

IUPAC5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-10(2)22-16(23)14-8-21-15(9-20-14)19-6-5-11-3-4-12(17)7-13(11)18/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyBYYAXLHXZIQSDX-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.58
Rot. Bonds6

About 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide

5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271241) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271241
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H18Cl2N4O/c1-10(2)22-16(23)14-8-21-15(9-20-14)19-6-5-11-3-4-12(17)7-13(11)18/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyBYYAXLHXZIQSDX-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201372
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide (CID 109271241) is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is BYYAXLHXZIQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-10(2)22-16(23)14-8-21-15(9-20-14)19-6-5-11-3-4-12(17)7-13(11)18/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).