N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide

C23H24N6O — CID 170855909

IUPACN-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide
SMILESCC(=O)N(CCC1=CN(Cc2ccccc2)Cc2ccccc21)c1nnc(C)nn1
InChIInChI=1S/C23H24N6O/c1-17-24-26-23(27-25-17)29(18(2)30)13-12-21-16-28(14-19-8-4-3-5-9-19)15-20-10-6-7-11-22(20)21/h3-11,16H,12-15H2,1-2H3
InChIKeyPPGBBLHHMWIFGR-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide

N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide (PubChem CID 170855909) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide
PubChem CID170855909
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide
SMILESCC(=O)N(CCC1=CN(Cc2ccccc2)Cc2ccccc21)c1nnc(C)nn1
InChIInChI=1S/C23H24N6O/c1-17-24-26-23(27-25-17)29(18(2)30)13-12-21-16-28(14-19-8-4-3-5-9-19)15-20-10-6-7-11-22(20)21/h3-11,16H,12-15H2,1-2H3
InChIKeyPPGBBLHHMWIFGR-UHFFFAOYSA-N
XLogP3.37
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide with MolForge

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Related Compounds

2-benzyl-4-phenyl-1H-isoquinoline
CID 101006090
5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
CID 22320574
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
acetamide;propylbenzene
CID 142238516
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688600
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-(bromomethyl)-N-phenylacetamide
CID 67904201
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-chloro-N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-N-(2-phenylethyl)benzamide
CID 2363409
2-ethyl-4-phenyl-1H-isoquinoline
CID 101006091
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-(3-phenylpropyl)acetamide
CID 113122234

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide?
The IUPAC name of N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide (CID 170855909) is N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide?
The canonical SMILES for N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide is CC(=O)N(CCC1=CN(Cc2ccccc2)Cc2ccccc21)c1nnc(C)nn1.
What is the InChIKey of N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide?
The InChIKey is PPGBBLHHMWIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17-24-26-23(27-25-17)29(18(2)30)13-12-21-16-28(14-19-8-4-3-5-9-19)15-20-10-6-7-11-22(20)21/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide?
N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide has a molecular weight of 400.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide is sourced from PubChem (CID 170855909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).