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

C20H19ClN4O — CID 109289157

IUPAC5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-5-7-17(8-6-14)25-20(26)18-12-24-19(13-23-18)22-10-9-15-3-2-4-16(21)11-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyOYXJWFMBSLEGGA-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.35
Rot. Bonds6

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

5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289157) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289157
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C20H19ClN4O/c1-14-5-7-17(8-6-14)25-20(26)18-12-24-19(13-23-18)22-10-9-15-3-2-4-16(21)11-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,25,26)
InChIKeyOYXJWFMBSLEGGA-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355427
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-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 109289157) is 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is OYXJWFMBSLEGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-5-7-17(8-6-14)25-20(26)18-12-24-19(13-23-18)22-10-9-15-3-2-4-16(21)11-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide?
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.35, 6 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-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).