N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide

C15H16N4O — CID 1277315

IUPACN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCN1CCc2ccccc2C1)c1cnccn1
InChIInChI=1S/C15H16N4O/c20-15(14-9-16-6-7-17-14)18-11-19-8-5-12-3-1-2-4-13(12)10-19/h1-4,6-7,9H,5,8,10-11H2,(H,18,20)
InChIKeyQHHNAVDWGLDQCL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.22
Rot. Bonds3

About N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide

N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1277315) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID1277315
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCN1CCc2ccccc2C1)c1cnccn1
InChIInChI=1S/C15H16N4O/c20-15(14-9-16-6-7-17-14)18-11-19-8-5-12-3-1-2-4-13(12)10-19/h1-4,6-7,9H,5,8,10-11H2,(H,18,20)
InChIKeyQHHNAVDWGLDQCL-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide (CID 1277315) is N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide is O=C(NCN1CCc2ccccc2C1)c1cnccn1.
What is the InChIKey of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is QHHNAVDWGLDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(14-9-16-6-7-17-14)18-11-19-8-5-12-3-1-2-4-13(12)10-19/h1-4,6-7,9H,5,8,10-11H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide?
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1277315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).