5-(hexylamino)-N-phenylpyrazine-2-carboxamide

C17H22N4O — CID 118721012

IUPAC5-(hexylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-8-11-18-16-13-19-15(12-20-16)17(22)21-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,18,20)(H,21,22)
InChIKeyYNYCPMKMYVSTCB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.72
Rot. Bonds8

About 5-(hexylamino)-N-phenylpyrazine-2-carboxamide

5-(hexylamino)-N-phenylpyrazine-2-carboxamide (PubChem CID 118721012) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(hexylamino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(hexylamino)-N-phenylpyrazine-2-carboxamide
PubChem CID118721012
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(hexylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-4-8-11-18-16-13-19-15(12-20-16)17(22)21-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,18,20)(H,21,22)
InChIKeyYNYCPMKMYVSTCB-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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 5-(hexylamino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(hexylamino)-N-phenylpyrazine-2-carboxamide (CID 118721012) is 5-(hexylamino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(hexylamino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(hexylamino)-N-phenylpyrazine-2-carboxamide is CCCCCCNc1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 5-(hexylamino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is YNYCPMKMYVSTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-4-8-11-18-16-13-19-15(12-20-16)17(22)21-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-(hexylamino)-N-phenylpyrazine-2-carboxamide?
5-(hexylamino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexylamino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 118721012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).