N-benzyl-6-(hexylamino)pyrazine-2-carboxamide

C18H24N4O — CID 127040678

IUPACN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
SMILESCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyDVCDXCSXNOUTEO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.40
Rot. Bonds9

About N-benzyl-6-(hexylamino)pyrazine-2-carboxamide

N-benzyl-6-(hexylamino)pyrazine-2-carboxamide (PubChem CID 127040678) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-6-(hexylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
PubChem CID127040678
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-6-(hexylamino)pyrazine-2-carboxamide
SMILESCCCCCCNc1cncc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyDVCDXCSXNOUTEO-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.40
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

Fenethylline
CID 19527
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
N-(4-methylphenyl)pyrazine-2-carboxamide
CID 746705
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1-phenylethyl)acetamide
CID 3126541
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190
8-((3-(1H-Imidazol-1-YL)PR)amino)3-ME-7-(1-PH-ET)3,7-dihydro-1H-purine-2,6-dione
CID 645860
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide (CID 127040678) is N-benzyl-6-(hexylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide is CCCCCCNc1cncc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
The InChIKey is DVCDXCSXNOUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-3-4-8-11-20-17-14-19-13-16(22-17)18(23)21-12-15-9-6-5-7-10-15/h5-7,9-10,13-14H,2-4,8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-6-(hexylamino)pyrazine-2-carboxamide?
N-benzyl-6-(hexylamino)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(hexylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 127040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).