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

C17H22N4O — CID 109279687

IUPACN-benzyl-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-7-10-18-16-13-19-15(12-20-16)17(22)21-11-14-8-5-4-6-9-14/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyFOKMQMIEKVBNOX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds8

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

N-benzyl-5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 109279687) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(pentylamino)pyrazine-2-carboxamide
PubChem CID109279687
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-7-10-18-16-13-19-15(12-20-16)17(22)21-11-14-8-5-4-6-9-14/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3,(H,18,20)(H,21,22)
InChIKeyFOKMQMIEKVBNOX-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
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-(pentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(pentylamino)pyrazine-2-carboxamide (CID 109279687) is N-benzyl-5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is FOKMQMIEKVBNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-7-10-18-16-13-19-15(12-20-16)17(22)21-11-14-8-5-4-6-9-14/h4-6,8-9,12-13H,2-3,7,10-11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of N-benzyl-5-(pentylamino)pyrazine-2-carboxamide?
N-benzyl-5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).