N-benzyl-5-(octylamino)pyrazine-2-carboxamide

C20H28N4O — CID 127038261

IUPACN-benzyl-5-(octylamino)pyrazine-2-carboxamide
SMILESCCCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C20H28N4O/c1-2-3-4-5-6-10-13-21-19-16-22-18(15-23-19)20(25)24-14-17-11-8-7-9-12-17/h7-9,11-12,15-16H,2-6,10,13-14H2,1H3,(H,21,23)(H,24,25)
InChIKeyRHUQCHWJDWCPKL-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.18
Rot. Bonds11

About N-benzyl-5-(octylamino)pyrazine-2-carboxamide

N-benzyl-5-(octylamino)pyrazine-2-carboxamide (PubChem CID 127038261) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-benzyl-5-(octylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(octylamino)pyrazine-2-carboxamide
PubChem CID127038261
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-benzyl-5-(octylamino)pyrazine-2-carboxamide
SMILESCCCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C20H28N4O/c1-2-3-4-5-6-10-13-21-19-16-22-18(15-23-19)20(25)24-14-17-11-8-7-9-12-17/h7-9,11-12,15-16H,2-6,10,13-14H2,1H3,(H,21,23)(H,24,25)
InChIKeyRHUQCHWJDWCPKL-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(octylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(octylamino)pyrazine-2-carboxamide (CID 127038261) is N-benzyl-5-(octylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(octylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(octylamino)pyrazine-2-carboxamide is CCCCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(octylamino)pyrazine-2-carboxamide?
The InChIKey is RHUQCHWJDWCPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-3-4-5-6-10-13-21-19-16-22-18(15-23-19)20(25)24-14-17-11-8-7-9-12-17/h7-9,11-12,15-16H,2-6,10,13-14H2,1H3,(H,21,23)(H,24,25).
What are the key properties of N-benzyl-5-(octylamino)pyrazine-2-carboxamide?
N-benzyl-5-(octylamino)pyrazine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(octylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127038261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).