5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

C22H23ClN4O — CID 109289171

IUPAC5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(2)17-6-8-19(9-7-17)27-22(28)20-13-26-21(14-25-20)24-11-10-16-4-3-5-18(23)12-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyMPOWHKQNSTWIHY-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.16
Rot. Bonds7

About 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide

5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 109289171) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID109289171
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(2)17-6-8-19(9-7-17)27-22(28)20-13-26-21(14-25-20)24-11-10-16-4-3-5-18(23)12-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyMPOWHKQNSTWIHY-UHFFFAOYSA-N
XLogP5.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284363
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 109289171) is 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is MPOWHKQNSTWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15(2)17-6-8-19(9-7-17)27-22(28)20-13-26-21(14-25-20)24-11-10-16-4-3-5-18(23)12-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide?
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).