5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide

C22H22N4O — CID 109284169

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCc4ccccc4C3)cn2)cc1
InChIInChI=1S/C22H22N4O/c1-2-16-7-9-19(10-8-16)25-22(27)20-13-24-21(14-23-20)26-12-11-17-5-3-4-6-18(17)15-26/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyCQZUKRHCRZUMMP-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.85
Rot. Bonds4

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109284169) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109284169
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCc4ccccc4C3)cn2)cc1
InChIInChI=1S/C22H22N4O/c1-2-16-7-9-19(10-8-16)25-22(27)20-13-24-21(14-23-20)26-12-11-17-5-3-4-6-18(17)15-26/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyCQZUKRHCRZUMMP-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109371660
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109284203
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxamide
CID 109284191
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
CID 109282732
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277483

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide (CID 109284169) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCc4ccccc4C3)cn2)cc1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CQZUKRHCRZUMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-16-7-9-19(10-8-16)25-22(27)20-13-24-21(14-23-20)26-12-11-17-5-3-4-6-18(17)15-26/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).