N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide

C23H24N4O — CID 109282732

IUPACN-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)23(28)21-14-25-22(15-24-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyVYROLAMXHZYDRD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.70
Rot. Bonds5

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

N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide (PubChem CID 109282732) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
PubChem CID109282732
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)23(28)21-14-25-22(15-24-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyVYROLAMXHZYDRD-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 84570606
N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108988971
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277483
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109284203
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide (CID 109282732) is N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide?
The InChIKey is VYROLAMXHZYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)23(28)21-14-25-22(15-24-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3.
What are the key properties of N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide?
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 109282732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).