N-(5-chloropyrazin-2-yl)octanamide

C12H18ClN3O — CID 104964264

IUPACN-(5-chloropyrazin-2-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-2-3-4-5-6-7-12(17)16-11-9-14-10(13)8-15-11/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyDFWBETIEUUMUPX-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.43
Rot. Bonds7

About N-(5-chloropyrazin-2-yl)octanamide

N-(5-chloropyrazin-2-yl)octanamide (PubChem CID 104964264) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)octanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)octanamide
PubChem CID104964264
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(5-chloropyrazin-2-yl)octanamide
SMILESCCCCCCCC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-2-3-4-5-6-7-12(17)16-11-9-14-10(13)8-15-11/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyDFWBETIEUUMUPX-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.43
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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Related Compounds

N-(5-methylpyrazin-2-yl)hexanamide
CID 59059045
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-pyrimidin-2-ylundecanamide
CID 4180610
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(3,5-dichlorophenyl)nonanamide
CID 3459184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)octanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)octanamide (CID 104964264) is N-(5-chloropyrazin-2-yl)octanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)octanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)octanamide is CCCCCCCC(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)octanamide?
The InChIKey is DFWBETIEUUMUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-3-4-5-6-7-12(17)16-11-9-14-10(13)8-15-11/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of N-(5-chloropyrazin-2-yl)octanamide?
N-(5-chloropyrazin-2-yl)octanamide has a molecular weight of 255.75 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)octanamide is sourced from PubChem (CID 104964264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).