N-benzyl-6-(hexylamino)pyrazine-2-carboxamide

C18H24N4O — CID 127040678

IUPACN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
SMILESCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyDVCDXCSXNOUTEO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.40
Rot. Bonds9

About N-benzyl-6-(hexylamino)pyrazine-2-carboxamide

N-benzyl-6-(hexylamino)pyrazine-2-carboxamide (PubChem CID 127040678) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-6-(hexylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
PubChem CID127040678
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
SMILESCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyDVCDXCSXNOUTEO-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.40
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-6-(hexylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide (CID 127040678) is N-benzyl-6-(hexylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide is CCCCCCNc1cncc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
The InChIKey is DVCDXCSXNOUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
N-benzyl-6-(hexylamino)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).