N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide

C17H19N3O2 — CID 71853800

IUPACN-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H19N3O2/c21-15-11-18-14(10-19-15)16(22)20-12-17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,21)(H,20,22)
InChIKeyFOKRJICUVYGLFV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.91
Rot. Bonds5

About N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 71853800) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID71853800
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C17H19N3O2/c21-15-11-18-14(10-19-15)16(22)20-12-17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,21)(H,20,22)
InChIKeyFOKRJICUVYGLFV-UHFFFAOYSA-N
XLogP1.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 71853800) is N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCC1(Cc2ccccc2)CCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is FOKRJICUVYGLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15-11-18-14(10-19-15)16(22)20-12-17(7-4-8-17)9-13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,21)(H,20,22).
What are the key properties of N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 71853800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).