6-(ethylamino)-N-hexylpyrazine-2-carboxamide

C13H22N4O — CID 114035955

IUPAC6-(ethylamino)-N-hexylpyrazine-2-carboxamide
SMILESCCCCCCNC(=O)c1cncc(NCC)n1
InChIInChI=1S/C13H22N4O/c1-3-5-6-7-8-16-13(18)11-9-14-10-12(17-11)15-4-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDUQIGURJWNTSJR-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.22
Rot. Bonds8

About 6-(ethylamino)-N-hexylpyrazine-2-carboxamide

6-(ethylamino)-N-hexylpyrazine-2-carboxamide (PubChem CID 114035955) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(ethylamino)-N-hexylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-hexylpyrazine-2-carboxamide
PubChem CID114035955
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(ethylamino)-N-hexylpyrazine-2-carboxamide
SMILESCCCCCCNC(=O)c1cncc(NCC)n1
InChIInChI=1S/C13H22N4O/c1-3-5-6-7-8-16-13(18)11-9-14-10-12(17-11)15-4-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDUQIGURJWNTSJR-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(ethylamino)-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

N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
6-(ethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyrazine-2-carboxamide
CID 106050219
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14601820
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
6-(ethylamino)-N-(2-methylbutan-2-yl)pyrazine-2-carboxamide
CID 114035629
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-hexylpyrazine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-hexylpyrazine-2-carboxamide (CID 114035955) is 6-(ethylamino)-N-hexylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-hexylpyrazine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-hexylpyrazine-2-carboxamide is CCCCCCNC(=O)c1cncc(NCC)n1.
What is the InChIKey of 6-(ethylamino)-N-hexylpyrazine-2-carboxamide?
The InChIKey is DUQIGURJWNTSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-6-7-8-16-13(18)11-9-14-10-12(17-11)15-4-2/h9-10H,3-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-(ethylamino)-N-hexylpyrazine-2-carboxamide?
6-(ethylamino)-N-hexylpyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-hexylpyrazine-2-carboxamide is sourced from PubChem (CID 114035955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).