3-amino-N-hexylpyrazine-2-carboxamide

C11H18N4O — CID 32647019

IUPAC3-amino-N-hexylpyrazine-2-carboxamide
SMILESCCCCCCNC(=O)c1nccnc1N
InChIInChI=1S/C11H18N4O/c1-2-3-4-5-6-15-11(16)9-10(12)14-8-7-13-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyDEYAFKZHZXACMD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-N-hexylpyrazine-2-carboxamide

3-amino-N-hexylpyrazine-2-carboxamide (PubChem CID 32647019) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-hexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexylpyrazine-2-carboxamide
PubChem CID32647019
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-N-hexylpyrazine-2-carboxamide
SMILESCCCCCCNC(=O)c1nccnc1N
InChIInChI=1S/C11H18N4O/c1-2-3-4-5-6-15-11(16)9-10(12)14-8-7-13-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyDEYAFKZHZXACMD-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-hexylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
2-amino-3-nitro-N-pentylpyridine-4-carboxamide
CID 67636617
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
3,5-diamino-N-hexadecylbenzamide
CID 54469516
N-hexylpyridine-4-carboxamide
CID 3423732
N-hexyl-1-methylimidazole-2-carboxamide
CID 162400455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-hexylpyrazine-2-carboxamide (CID 32647019) is 3-amino-N-hexylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-hexylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-hexylpyrazine-2-carboxamide is CCCCCCNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-hexylpyrazine-2-carboxamide?
The InChIKey is DEYAFKZHZXACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-4-5-6-15-11(16)9-10(12)14-8-7-13-9/h7-8H,2-6H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-amino-N-hexylpyrazine-2-carboxamide?
3-amino-N-hexylpyrazine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexylpyrazine-2-carboxamide is sourced from PubChem (CID 32647019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).