N-(5-methylpyrazin-2-yl)hexanamide

C11H17N3O — CID 59059045

IUPACN-(5-methylpyrazin-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-5-6-11(15)14-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyPJOYFMTVDNAKMJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.30
Rot. Bonds5

About N-(5-methylpyrazin-2-yl)hexanamide

N-(5-methylpyrazin-2-yl)hexanamide (PubChem CID 59059045) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(5-methylpyrazin-2-yl)hexanamide.

Molecular Properties

Compound NameN-(5-methylpyrazin-2-yl)hexanamide
PubChem CID59059045
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(5-methylpyrazin-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-5-6-11(15)14-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyPJOYFMTVDNAKMJ-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methylpyrazin-2-yl)hexanamide?
The IUPAC name of N-(5-methylpyrazin-2-yl)hexanamide (CID 59059045) is N-(5-methylpyrazin-2-yl)hexanamide.
What is the SMILES notation for N-(5-methylpyrazin-2-yl)hexanamide?
The canonical SMILES for N-(5-methylpyrazin-2-yl)hexanamide is CCCCCC(=O)Nc1cnc(C)cn1.
What is the InChIKey of N-(5-methylpyrazin-2-yl)hexanamide?
The InChIKey is PJOYFMTVDNAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-6-11(15)14-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-methylpyrazin-2-yl)hexanamide?
N-(5-methylpyrazin-2-yl)hexanamide has a molecular weight of 207.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrazin-2-yl)hexanamide is sourced from PubChem (CID 59059045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).