5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide

C15H16N4O — CID 114490944

IUPAC5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H16N4O/c1-10-7-18-14(9-17-10)15(20)19-13-4-2-3-11-5-6-16-8-12(11)13/h2-4,7,9,16H,5-6,8H2,1H3,(H,19,20)
InChIKeyABCVQUJVTRBUOU-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.68
Rot. Bonds2

About 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide

5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide (PubChem CID 114490944) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
PubChem CID114490944
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3c2CNCC3)cn1
InChIInChI=1S/C15H16N4O/c1-10-7-18-14(9-17-10)15(20)19-13-4-2-3-11-5-6-16-8-12(11)13/h2-4,7,9,16H,5-6,8H2,1H3,(H,19,20)
InChIKeyABCVQUJVTRBUOU-UHFFFAOYSA-N
XLogP1.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
CID 114491058
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491042
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
CID 18122028
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide (CID 114490944) is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc3c2CNCC3)cn1.
What is the InChIKey of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide?
The InChIKey is ABCVQUJVTRBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-18-14(9-17-10)15(20)19-13-4-2-3-11-5-6-16-8-12(11)13/h2-4,7,9,16H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide?
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 114490944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).