5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide

C9H12ClN3O2 — CID 107258552

IUPAC5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
SMILESO=C(NCCCCO)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O2/c10-8-6-12-7(5-13-8)9(15)11-3-1-2-4-14/h5-6,14H,1-4H2,(H,11,15)
InChIKeyYNIKSGHDAKMAET-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.63
Rot. Bonds5

About 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide

5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide (PubChem CID 107258552) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
PubChem CID107258552
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
SMILESO=C(NCCCCO)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O2/c10-8-6-12-7(5-13-8)9(15)11-3-1-2-4-14/h5-6,14H,1-4H2,(H,11,15)
InChIKeyYNIKSGHDAKMAET-UHFFFAOYSA-N
XLogP0.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.63
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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Related Compounds

5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
CID 107371437
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide (CID 107258552) is 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide is O=C(NCCCCO)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide?
The InChIKey is YNIKSGHDAKMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-8-6-12-7(5-13-8)9(15)11-3-1-2-4-14/h5-6,14H,1-4H2,(H,11,15).
What are the key properties of 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide?
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107258552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).